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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Imidazoles (129)
Pyrazoles (129)
Thiazoles (61)
Triazoles (44)
Isoxazoles (16)
Oxadiazoles (9)
Oxazoles (9)
Thiadiazoles (5)
Dithiazoles (2)

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1 – 15 of 207 results
1
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Thiazolyl blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 64965
CAS 298-93-1
Molecular Weight (g/mol) 414.33
ChEBI CHEBI:53233
MDL Number MFCD00011964,MFCD00066662
SMILES [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
InChI Key AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula C18H16BrN5S
2
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1-Methylimidazole, 99%

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole PubChem CID: 1390 ChEBI: CHEBI:113454 IUPAC Name: 1-methylimidazole SMILES: CN1C=CN=C1

PubChem CID 1390
CAS 616-47-7
Molecular Weight (g/mol) 82.11
ChEBI CHEBI:113454
MDL Number MFCD00005292
SMILES CN1C=CN=C1
Synonym 1-methyl-1h-imidazole,n-methylimidazole,1h-imidazole, 1-methyl,imidazole, 1-methyl,n-methyl imidazole,1-methyl-imidazole,unii-p4617qs63y,1-methyl-1h-imidazol,n-methylimidazol,1-methylimdazole
IUPAC Name 1-methylimidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
3
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1H-Benzotriazole, 99%

CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1

PubChem CID 7220
CAS 95-14-7
Molecular Weight (g/mol) 119.13
ChEBI CHEBI:75331
MDL Number MFCD00005699
SMILES C1=CC2=NNN=C2C=C1
Synonym 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole
IUPAC Name 2H-benzotriazole
InChI Key QRUDEWIWKLJBPS-UHFFFAOYSA-N
Molecular Formula C6H5N3
4
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1,1'-Carbonyldiimidazole, 97%

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: di(imidazol-1-yl)methanone SMILES: O=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 68263
CAS 530-62-1
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
IUPAC Name di(imidazol-1-yl)methanone
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
5

2-Phenylbenzimidazole-5-sulfonic acid, 98%

CAS: 27503-81-7 Molecular Formula: C13H10N2O3S Molecular Weight (g/mol): 274.29 MDL Number: MFCD00053007 InChI Key: UVCJGUGAGLDPAA-UHFFFAOYSA-N Synonym: ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid PubChem CID: 33919 IUPAC Name: 2-phenyl-3H-benzimidazole-5-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1

PubChem CID 33919
CAS 27503-81-7
Molecular Weight (g/mol) 274.29
MDL Number MFCD00053007
SMILES OS(=O)(=O)C1=CC=C2N=C(NC2=C1)C1=CC=CC=C1
Synonym ensulizole,2-phenylbenzimidazole-5-sulfonic acid,phenylbenzimidazole sulfonic acid,2-phenyl-1h-benzo d imidazole-5-sulfonic acid,2-phenyl-1h-benzo d imidazole-6-sulfonic acid,1h-benzimidazole-5-sulfonic acid, 2-phenyl,unii-9yq9di1w42,2-phenyl-1h-benzimidazole-5-sulfonic acid,parsol hs,2-phenyl-5-benzimidazolesulfonic acid
IUPAC Name 2-phenyl-3H-benzimidazole-5-sulfonic acid
InChI Key UVCJGUGAGLDPAA-UHFFFAOYSA-N
Molecular Formula C13H10N2O3S
6

1-Aminobenzotriazole, 98%

CAS: 1614-12-6 Molecular Formula: C6H6N4 Molecular Weight (g/mol): 134.14 MDL Number: MFCD00132902 InChI Key: JCXKHYLLVKZPKE-UHFFFAOYSA-N Synonym: 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine PubChem CID: 1367 IUPAC Name: benzotriazol-1-amine SMILES: C1=CC=C2C(=C1)N=NN2N

PubChem CID 1367
CAS 1614-12-6
Molecular Weight (g/mol) 134.14
MDL Number MFCD00132902
SMILES C1=CC=C2C(=C1)N=NN2N
Synonym 1-aminobenzotriazole,1h-benzotriazol-1-amine,1h-benzo d 1,2,3 triazol-1-amine,1-benzotriazolamine,1-abtz,1h-1,2,3-benzotriazol-1-amine,1h-1,2,3-benzotriazol-1-ylamine,1,2,3-benzotriazol-1-amine,benzotriazolylamine,1-benzotriazolylamine
IUPAC Name benzotriazol-1-amine
InChI Key JCXKHYLLVKZPKE-UHFFFAOYSA-N
Molecular Formula C6H6N4
7

1-Butyl-3-methylimidazolium chloride, 98+%

CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1

PubChem CID 2734161
CAS 79917-90-1
Molecular Weight (g/mol) 174.67
MDL Number MFCD03095425
SMILES [Cl-].CCCCN1C=C[N+](C)=C1
Synonym 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461
IUPAC Name 1-butyl-3-methylimidazol-3-ium;chloride
InChI Key FHDQNOXQSTVAIC-UHFFFAOYSA-M
Molecular Formula C8H15ClN2
8

Indazole, 96%

CAS: 271-44-3 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 InChI Key: BAXOFTOLAUCFNW-UHFFFAOYSA-N Synonym: indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole PubChem CID: 9221 ChEBI: CHEBI:36669 IUPAC Name: 1H-indazole SMILES: C1=CC=C2C(=C1)C=NN2

PubChem CID 9221
CAS 271-44-3
Molecular Weight (g/mol) 118.14
ChEBI CHEBI:36669
SMILES C1=CC=C2C(=C1)C=NN2
Synonym indazole,1h-benzopyrazole,2-azaindole,isoindazole,2h-indazole,1,2-diazaindene,1,2-benzodiazole,1h-indazol,benzopyrazole,1,2-benzopyrazole
IUPAC Name 1H-indazole
InChI Key BAXOFTOLAUCFNW-UHFFFAOYSA-N
Molecular Formula C7H6N2
9
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2-Phenylimidazole, 98%

CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1

PubChem CID 69591
CAS 670-96-2
Molecular Weight (g/mol) 144.18
MDL Number MFCD00005186
SMILES N1C=CN=C1C1=CC=CC=C1
Synonym 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy
IUPAC Name 2-phenyl-1H-imidazole
InChI Key ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
Molecular Formula C9H8N2
10
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2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
11

1-Ethyl-3-methylimidazolium bromide, 98%

CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 SMILES: [Br-].CCN1C=C[N+](C)=C1

PubChem CID 2734235
CAS 65039-08-9
Molecular Weight (g/mol) 191.07
MDL Number MFCD03427610
SMILES [Br-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br
InChI Key GWQYPLXGJIXMMV-UHFFFAOYSA-M
Molecular Formula C6H11BrN2
12

1-Ethyl-3-methylimidazolium chloride, 97%

CAS: 65039-09-0 Molecular Formula: C6H11ClN2 Molecular Weight (g/mol): 146.62 MDL Number: MFCD00074843 InChI Key: BMQZYMYBQZGEEY-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180 PubChem CID: 2734160 ChEBI: CHEBI:61327 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCN1C=C[N+](C)=C1

PubChem CID 2734160
CAS 65039-09-0
Molecular Weight (g/mol) 146.62
ChEBI CHEBI:61327
MDL Number MFCD00074843
SMILES [Cl-].CCN1C=C[N+](C)=C1
Synonym 1-ethyl-3-methylimidazolium chloride,1-ethyl-3-methyl-1h-imidazol-3-ium chloride,emim cl,unii-ph90aq1e93,1-ethyl-3-methylimidazoliumchloride,1-methyl-3-ethylimidazolium chloride,1-ethyl-3-methylimidazol-3-ium chloride,emim-cl,basionics™ st 80,dsstox_cid_21180
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;chloride
InChI Key BMQZYMYBQZGEEY-UHFFFAOYSA-M
Molecular Formula C6H11ClN2
13
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Ganciclovir, 98%, Thermo Scientific Chemicals

CAS: 82410-32-0 Molecular Formula: C9H13N5O4 Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

PubChem CID 3454
CAS 82410-32-0
Molecular Weight (g/mol) 255.23
ChEBI CHEBI:465284
SMILES C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
Synonym ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg
IUPAC Name 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one
InChI Key IRSCQMHQWWYFCW-UHFFFAOYSA-N
Molecular Formula C9H13N5O4
14
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3-Amino-1H-1,2,4-triazole, 95%

CAS: 61-82-5 Molecular Formula: C2H4N4 Molecular Weight (g/mol): 84.08 MDL Number: MFCD00005230,MFCD00053362 InChI Key: KLSJWNVTNUYHDU-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox PubChem CID: 1639 ChEBI: CHEBI:40036 IUPAC Name: 1H-1,2,4-triazol-5-amine SMILES: NC1=NC=NN1

PubChem CID 1639
CAS 61-82-5
Molecular Weight (g/mol) 84.08
ChEBI CHEBI:40036
MDL Number MFCD00005230,MFCD00053362
SMILES NC1=NC=NN1
Synonym 3-amino-1,2,4-triazole,amitrole,aminotriazole,4h-1,2,4-triazol-3-amine,1h-1,2,4-triazol-3-amine,amitrol,amerol,amizol,emisol,vorox
IUPAC Name 1H-1,2,4-triazol-5-amine
InChI Key KLSJWNVTNUYHDU-UHFFFAOYSA-N
Molecular Formula C2H4N4
15
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1,2,4-1H-Triazole, 99.5%

CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.06 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1

PubChem CID 9257
CAS 288-88-0
Molecular Weight (g/mol) 69.06
ChEBI CHEBI:35550
MDL Number MFCD00005228
SMILES C1=NC=NN1
Synonym 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van
IUPAC Name 1H-1,2,4-triazole
InChI Key NSPMIYGKQJPBQR-UHFFFAOYSA-N
Molecular Formula C2H3N3