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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 (2,982)
Thiazoles (2,025)
Pyrazoles (1,495)
Triazoles (582)
Oxazoles (556)
Oxadiazoles (242)
Isoxazoles (232)
Thiadiazoles (71)
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1,096 – 1,110 of 6,965 results
1,096

1-Butyl-3-methylimidazolium Thiocyanate 97.0+%, TCI America™

CAS: 344790-87-0 Molecular Formula: C9H15N3S Molecular Weight (g/mol): 197.3 MDL Number: MFCD06798181 InChI Key: SIXHYMZEOJSYQH-UHFFFAOYSA-M PubChem CID: 11424151 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;thiocyanate SMILES: CCCCN1C=C[N+](=C1)C.C(#N)[S-]

PubChem CID 11424151
CAS 344790-87-0
Molecular Weight (g/mol) 197.3
MDL Number MFCD06798181
SMILES CCCCN1C=C[N+](=C1)C.C(#N)[S-]
IUPAC Name 1-butyl-3-methylimidazol-3-ium;thiocyanate
InChI Key SIXHYMZEOJSYQH-UHFFFAOYSA-M
Molecular Formula C9H15N3S
1,097

1,3-Dimesitylimidazolium Chloride 98.0+%, TCI America™

CAS: 141556-45-8 Molecular Formula: C21H25ClN2 Molecular Weight (g/mol): 340.90 MDL Number: MFCD02684541 InChI Key: OTOSIXGMLYKKOW-UHFFFAOYSA-M Synonym: 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride PubChem CID: 2734211 IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1

PubChem CID 2734211
CAS 141556-45-8
Molecular Weight (g/mol) 340.90
MDL Number MFCD02684541
SMILES [Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
Synonym 1,3-bis 2,4,6-trimethylphenyl imidazolium chloride,1,3-dimesityl-1h-imidazol-3-ium chloride,1,3-dimesitylimidazolium chloride,1,3-bis mesityl imidazolium chloride,imes.hcl,1,3-bis 2,4,6-trimethylphenyl imidazoliumchloride,1,3-2,4,6-trimethylphenyl imidazolium chloride,1,3-bis-2,4,6-trimethylphenyl-1h-imidazolium chloride,1,3-bis-2,4,6-trimethyl-phenyl-3h-imidazol-1-ium chloride,1,3-dihydro-1,3-dimesityl-2h-imidazol-2-ylidene monohydrochloride
IUPAC Name 1,3-bis(2,4,6-trimethylphenyl)-3H-1λ⁵-imidazol-1-ylium chloride
InChI Key OTOSIXGMLYKKOW-UHFFFAOYSA-M
Molecular Formula C21H25ClN2
1,098

1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride 98.0+%, TCI America™

CAS: 250285-32-6 Molecular Formula: C27H37ClN2 Molecular Weight (g/mol): 425.06 MDL Number: MFCD02684545 InChI Key: AVJBQMXODCVJCJ-UHFFFAOYSA-M Synonym: 1,3-bis 2,6-diisopropylphenyl imidazolium chloride,1,3-bis 2,6-diisopropylphenyl-1h-imidazol-3-ium chloride,1,3-bis 2,6-di-i-propylphenyl imidazolium chloride,ipr hcl,2,5-bis 2,6-diisopropylphenyl imidazolium chloride,ipr.hcl,1,3-bis 2,6-bis 1-methylethyl phenyl-1h-imidazolium chloride,1,3-bis 2,6-di-i-propylphenyl imidazoliumchloride,1,3-bis-2,6-diisopropyl-phenyl-3h-imidazol-1-ium chloride,1,3-bis 2,6-bis prop-2-yl phenyl-1h-imidazol-3-ium chloride PubChem CID: 2734913 IUPAC Name: 1,3-bis[2,6-bis(propan-2-yl)phenyl]-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1C=C[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C

PubChem CID 2734913
CAS 250285-32-6
Molecular Weight (g/mol) 425.06
MDL Number MFCD02684545
SMILES [Cl-].CC(C)C1=CC=CC(C(C)C)=C1N1C=C[N+](=C1)C1=C(C=CC=C1C(C)C)C(C)C
Synonym 1,3-bis 2,6-diisopropylphenyl imidazolium chloride,1,3-bis 2,6-diisopropylphenyl-1h-imidazol-3-ium chloride,1,3-bis 2,6-di-i-propylphenyl imidazolium chloride,ipr hcl,2,5-bis 2,6-diisopropylphenyl imidazolium chloride,ipr.hcl,1,3-bis 2,6-bis 1-methylethyl phenyl-1h-imidazolium chloride,1,3-bis 2,6-di-i-propylphenyl imidazoliumchloride,1,3-bis-2,6-diisopropyl-phenyl-3h-imidazol-1-ium chloride,1,3-bis 2,6-bis prop-2-yl phenyl-1h-imidazol-3-ium chloride
IUPAC Name 1,3-bis[2,6-bis(propan-2-yl)phenyl]-3H-1λ⁵-imidazol-1-ylium chloride
InChI Key AVJBQMXODCVJCJ-UHFFFAOYSA-M
Molecular Formula C27H37ClN2
1,099

1-Ethyl-3-methylimidazolium Trifluoro(trifluoromethyl)borate 98.0+%, TCI America™

CAS: 681856-28-0 Molecular Formula: C7H11BF6N2 Molecular Weight (g/mol): 247.979 InChI Key: YTANZWHOSGQGAP-UHFFFAOYSA-N PubChem CID: 44630031 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;trifluoro(trifluoromethyl)boranuide SMILES: [B-](C(F)(F)F)(F)(F)F.CCN1C=C[N+](=C1)C

PubChem CID 44630031
CAS 681856-28-0
Molecular Weight (g/mol) 247.979
SMILES [B-](C(F)(F)F)(F)(F)F.CCN1C=C[N+](=C1)C
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;trifluoro(trifluoromethyl)boranuide
InChI Key YTANZWHOSGQGAP-UHFFFAOYSA-N
Molecular Formula C7H11BF6N2
1,100

N-tert-Butoxycarbonylimidazole 98.0+%, TCI America™

CAS: 49761-82-2 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00014497 InChI Key: MTBKGWHHOBJMHJ-UHFFFAOYSA-N Synonym: n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p PubChem CID: 521262 IUPAC Name: tert-butyl imidazole-1-carboxylate SMILES: CC(C)(C)OC(=O)N1C=CN=C1

PubChem CID 521262
CAS 49761-82-2
Molecular Weight (g/mol) 168.196
MDL Number MFCD00014497
SMILES CC(C)(C)OC(=O)N1C=CN=C1
Synonym n-boc-imidazole,tert-butyl 1h-imidazole-1-carboxylate,n-tert-butoxycarbonylimidazole,1-tert-butoxycarbonyl imidazole,1h-imidazole-1-carboxylic acid, 1,1-dimethylethyl ester,imidazole-1-carboxylic acid tert-butyl ester,tert-butyl imidazolecarboxylate,1-boc-imidazole,acmc-209ki1,ksc237k5p
IUPAC Name tert-butyl imidazole-1-carboxylate
InChI Key MTBKGWHHOBJMHJ-UHFFFAOYSA-N
Molecular Formula C8H12N2O2
1,101

1H-Benzotriazole-1-methanol 98.0+%, TCI America™

CAS: 28539-02-8 Molecular Formula: C7H7N3O Molecular Weight (g/mol): 149.153 MDL Number: MFCD00179118 InChI Key: MXJIHEXYGRXHGP-UHFFFAOYSA-N Synonym: 1-(Hydroxymethyl)-1H-benzotriazole PubChem CID: 224169 IUPAC Name: benzotriazol-1-ylmethanol SMILES: C1=CC=C2C(=C1)N=NN2CO

PubChem CID 224169
CAS 28539-02-8
Molecular Weight (g/mol) 149.153
MDL Number MFCD00179118
SMILES C1=CC=C2C(=C1)N=NN2CO
Synonym 1-(Hydroxymethyl)-1H-benzotriazole
IUPAC Name benzotriazol-1-ylmethanol
InChI Key MXJIHEXYGRXHGP-UHFFFAOYSA-N
Molecular Formula C7H7N3O
1,102

trans-Urocanic Acid 98.0+%, TCI America™

CAS: 3465-72-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203,MFCD01593677 InChI Key: LOIYMIARKYCTBW-OWOJBTEDSA-N Synonym: 4-Imidazoleacrylic Acid PubChem CID: 736715 ChEBI: CHEBI:30817 IUPAC Name: (2E)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CN=CN1

PubChem CID 736715
CAS 3465-72-3
Molecular Weight (g/mol) 138.13
ChEBI CHEBI:30817
MDL Number MFCD00005203,MFCD01593677
SMILES OC(=O)\C=C\C1=CN=CN1
Synonym 4-Imidazoleacrylic Acid
IUPAC Name (2E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI Key LOIYMIARKYCTBW-OWOJBTEDSA-N
Molecular Formula C6H6N2O2
1,103

2-Methyl-1-vinylimidazole 97.0+%, TCI America™

CAS: 2851-95-8 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.144 MDL Number: MFCD00037893 InChI Key: BDHGFCVQWMDIQX-UHFFFAOYSA-N PubChem CID: 76109 IUPAC Name: 1-ethenyl-2-methylimidazole SMILES: CC1=NC=CN1C=C

PubChem CID 76109
CAS 2851-95-8
Molecular Weight (g/mol) 108.144
MDL Number MFCD00037893
SMILES CC1=NC=CN1C=C
IUPAC Name 1-ethenyl-2-methylimidazole
InChI Key BDHGFCVQWMDIQX-UHFFFAOYSA-N
Molecular Formula C6H8N2
1,104

Flumazenil 99.0+%, TCI America™

CAS: 78755-81-4 Molecular Formula: C15H14FN3O3 Molecular Weight (g/mol): 303.293 MDL Number: MFCD00242764 InChI Key: OFBIFZUFASYYRE-UHFFFAOYSA-N Synonym: flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish PubChem CID: 3373 ChEBI: CHEBI:5103 IUPAC Name: ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

PubChem CID 3373
CAS 78755-81-4
Molecular Weight (g/mol) 303.293
ChEBI CHEBI:5103
MDL Number MFCD00242764
SMILES CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
Synonym flumazenil,anexate,flumazepil,romazicon,lanexat,mazicon,flumazenilum,flumazenilo,flumazenilum latin,flumazenilo spanish
IUPAC Name ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
InChI Key OFBIFZUFASYYRE-UHFFFAOYSA-N
Molecular Formula C15H14FN3O3
1,105

3-Amino-5-methylthio-1H-1,2,4-triazole 97.0+%, TCI America™

CAS: 45534-08-5 Molecular Formula: C3H6N4S Molecular Weight (g/mol): 130.17 MDL Number: MFCD00005232 InChI Key: XGWWZKBCQLBJNH-UHFFFAOYSA-N Synonym: 3-amino-5-methylthio-1h-1,2,4-triazole,1h-1,2,4-triazol-3-amine, 5-methylthio,5-methylthio-1h-1,2,4-triazol-3-amine,3-amino-5-methylthio-1,2,4-triazole,5-methylsulfanyl-4h-1,2,4-triazol-3-amine,3-methylthio-1h-1,2,4-triazol-5-amine,3-methylsulfanyl-1h-1,2,4-triazol-5-amine,5-methylsulfanyl-1h-1,2,4-triazol-3-amine,5-amino-3-methylthio-1h-1,2,4-triazole,5-methylthio-4h-1,2,4-triazol-3-amine PubChem CID: 78471 IUPAC Name: 3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine SMILES: CSC1=NNC(N)=N1

PubChem CID 78471
CAS 45534-08-5
Molecular Weight (g/mol) 130.17
MDL Number MFCD00005232
SMILES CSC1=NNC(N)=N1
Synonym 3-amino-5-methylthio-1h-1,2,4-triazole,1h-1,2,4-triazol-3-amine, 5-methylthio,5-methylthio-1h-1,2,4-triazol-3-amine,3-amino-5-methylthio-1,2,4-triazole,5-methylsulfanyl-4h-1,2,4-triazol-3-amine,3-methylthio-1h-1,2,4-triazol-5-amine,3-methylsulfanyl-1h-1,2,4-triazol-5-amine,5-methylsulfanyl-1h-1,2,4-triazol-3-amine,5-amino-3-methylthio-1h-1,2,4-triazole,5-methylthio-4h-1,2,4-triazol-3-amine
IUPAC Name 3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine
InChI Key XGWWZKBCQLBJNH-UHFFFAOYSA-N
Molecular Formula C3H6N4S
1,106

Chlormethiazole Hydrochloride 98.0+%, TCI America™

CAS: 6001-74-7 Molecular Formula: C6H9Cl2NS Molecular Weight (g/mol): 198.11 MDL Number: MFCD00673948 InChI Key: OFXYKSLKNMTBHK-UHFFFAOYSA-N Synonym: chlormethiazole hydrochloride,clomethiazole hydrochloride,somnevrin hydrochloride,5-2-chloroethyl-4-methylthiazole hydrochloride,5-2-chloroethyl-4-methyl-1,3-thiazole hydrochloride,2-4-methylthiazol-5-yl ethyl chloride hydrochloride,clomethiazole hydrochloride mi,thiazole, 5-2-chloroethyl-4-methyl-, hydrochloride,thiazole, 5-2-chloroethyl-4-methyl-, hydrochloride 1:1,5-2-chloroethyl-4-methyl-1,3-thiazole hydrochloride 1:1 PubChem CID: 19035073 IUPAC Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole hydrochloride SMILES: Cl.CC1=C(CCCl)SC=N1

PubChem CID 19035073
CAS 6001-74-7
Molecular Weight (g/mol) 198.11
MDL Number MFCD00673948
SMILES Cl.CC1=C(CCCl)SC=N1
Synonym chlormethiazole hydrochloride,clomethiazole hydrochloride,somnevrin hydrochloride,5-2-chloroethyl-4-methylthiazole hydrochloride,5-2-chloroethyl-4-methyl-1,3-thiazole hydrochloride,2-4-methylthiazol-5-yl ethyl chloride hydrochloride,clomethiazole hydrochloride mi,thiazole, 5-2-chloroethyl-4-methyl-, hydrochloride,thiazole, 5-2-chloroethyl-4-methyl-, hydrochloride 1:1,5-2-chloroethyl-4-methyl-1,3-thiazole hydrochloride 1:1
IUPAC Name 5-(2-chloroethyl)-4-methyl-1,3-thiazole hydrochloride
InChI Key OFXYKSLKNMTBHK-UHFFFAOYSA-N
Molecular Formula C6H9Cl2NS
1,107

1-Isopropylimidazole 97.0+%, TCI America™

CAS: 4532-96-1 Molecular Formula: C6H10N2 Molecular Weight (g/mol): 110.16 MDL Number: MFCD00234239 InChI Key: IPIORGCOGQZEHO-UHFFFAOYSA-N PubChem CID: 10176113 IUPAC Name: 1-propan-2-ylimidazole SMILES: CC(C)N1C=CN=C1

PubChem CID 10176113
CAS 4532-96-1
Molecular Weight (g/mol) 110.16
MDL Number MFCD00234239
SMILES CC(C)N1C=CN=C1
IUPAC Name 1-propan-2-ylimidazole
InChI Key IPIORGCOGQZEHO-UHFFFAOYSA-N
Molecular Formula C6H10N2
1,108

5-Methyl-1H-benzotriazole 99.0+%, TCI America™

CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-1,2,3-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1

PubChem CID 8705
CAS 136-85-6
Molecular Weight (g/mol) 133.15
ChEBI CHEBI:83455
MDL Number MFCD00005702
SMILES CC1=CC2=NNN=C2C=C1
Synonym 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1
IUPAC Name 5-methyl-2H-1,2,3-benzotriazole
InChI Key LRUDIIUSNGCQKF-UHFFFAOYSA-N
Molecular Formula C7H7N3
1,109

4-Methylpyrazole 98.0+%, TCI America™

CAS: 7554-65-6 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.106 MDL Number: MFCD00005245 InChI Key: RIKMMFOAQPJVMX-UHFFFAOYSA-N Synonym: 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn PubChem CID: 3406 ChEBI: CHEBI:5141 IUPAC Name: 4-methyl-1H-pyrazole SMILES: CC1=CNN=C1

PubChem CID 3406
CAS 7554-65-6
Molecular Weight (g/mol) 82.106
ChEBI CHEBI:5141
MDL Number MFCD00005245
SMILES CC1=CNN=C1
Synonym 4-methylpyrazole,fomepizole,antizol,1h-pyrazole, 4-methyl,fomepizol,4-methylpyrazol,fomepizolum,fomepizol inn-spanish,fomepizolum inn-latin,fomepizole usan:inn
IUPAC Name 4-methyl-1H-pyrazole
InChI Key RIKMMFOAQPJVMX-UHFFFAOYSA-N
Molecular Formula C4H6N2
1,110

2-Methyl-4,5-diphenyloxazole, TCI America™

CAS: 14224-99-8 Molecular Formula: C16H13NO Molecular Weight (g/mol): 235.29 MDL Number: MFCD00005307 InChI Key: QLQIWRCWPJRJJA-UHFFFAOYSA-N PubChem CID: 139703 IUPAC Name: 2-methyl-4,5-diphenyl-1,3-oxazole SMILES: CC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 139703
CAS 14224-99-8
Molecular Weight (g/mol) 235.29
MDL Number MFCD00005307
SMILES CC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-methyl-4,5-diphenyl-1,3-oxazole
InChI Key QLQIWRCWPJRJJA-UHFFFAOYSA-N
Molecular Formula C16H13NO