N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C23H20N4O — CID 2451137

IUPACN-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C23H20N4O/c1-16-13-14-17(2)20(15-16)24-23(28)21-25-22(18-9-5-3-6-10-18)27(26-21)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,24,28)
InChIKeyJQWFDSXUURAGJY-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2451137) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2451137
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C23H20N4O/c1-16-13-14-17(2)20(15-16)24-23(28)21-25-22(18-9-5-3-6-10-18)27(26-21)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,24,28)
InChIKeyJQWFDSXUURAGJY-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-(4-cyanophenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2082741
N-(2,3-dimethylphenyl)-1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide
CID 2457944
1-(4-Methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 6473223
2-((4,5-Diphenyl-4H-1,2,4-triazol-3-YL)thio)-N-(2-methylphenyl)acetamide
CID 978587
N-(2,5-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995141
N-(2,4-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995142
N-(2,6-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 1147433
2-{2-[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-2-phenylhydrazino}-N-phenyl-2-thioxoacetamide
CID 1825875
Azepan-1-yl-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 2542208
N-pentan-2-yl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4835789
2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10016491
1-[1-(5-Methyl-4H-[1,2,4]triazol-3-ylmethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
CID 10412837

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2451137) is N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JQWFDSXUURAGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-13-14-17(2)20(15-16)24-23(28)21-25-22(18-9-5-3-6-10-18)27(26-21)19-11-7-4-8-12-19/h3-15H,1-2H3,(H,24,28).
What are the key properties of N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-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-(2,5-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2451137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).