N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide

C23H20N4O — CID 16651449

IUPACN-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1C
InChIInChI=1S/C23H20N4O/c1-16-13-14-19(15-17(16)2)24-23(28)21-22(18-9-5-3-6-10-18)27(26-25-21)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,24,28)
InChIKeyXFXPAWMLRTVADA-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide

N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide (PubChem CID 16651449) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
PubChem CID16651449
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1C
InChIInChI=1S/C23H20N4O/c1-16-13-14-19(15-17(16)2)24-23(28)21-22(18-9-5-3-6-10-18)27(26-25-21)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,24,28)
InChIKeyXFXPAWMLRTVADA-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
N-(3,4-dimethylphenyl)-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692529
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246289
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 680133
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 94940470
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-pyridin-4-yltriazole-4-carboxamide
CID 53123513
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide (CID 16651449) is N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide is Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide?
The InChIKey is XFXPAWMLRTVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-13-14-19(15-17(16)2)24-23(28)21-22(18-9-5-3-6-10-18)27(26-25-21)20-11-7-4-8-12-20/h3-15H,1-2H3,(H,24,28).
What are the key properties of N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide?
N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 16651449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).