1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide

C18H18N4O — CID 18146607

IUPAC1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1C
InChIInChI=1S/C18H18N4O/c1-13-7-6-10-16(14(13)2)19-18(23)17-12-22(21-20-17)11-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyLOVUPUKPNXZZSN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds4

About 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide

1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide (PubChem CID 18146607) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
PubChem CID18146607
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1C
InChIInChI=1S/C18H18N4O/c1-13-7-6-10-16(14(13)2)19-18(23)17-12-22(21-20-17)11-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,19,23)
InChIKeyLOVUPUKPNXZZSN-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 18152232
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CID 31701106
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
1-benzyl-N-(3-chloro-2-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 18153239
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
N-(2,3-dimethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200610
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
(E)-3-(1-benzyltriazol-4-yl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 26688838

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide (CID 18146607) is 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(Cc3ccccc3)nn2)c1C.
What is the InChIKey of 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide?
The InChIKey is LOVUPUKPNXZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-6-10-16(14(13)2)19-18(23)17-12-22(21-20-17)11-15-8-4-3-5-9-15/h3-10,12H,11H2,1-2H3,(H,19,23).
What are the key properties of 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide?
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 18146607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).