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

C23H20N4O — CID 2457944

IUPACN-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C
InChIInChI=1S/C23H20N4O/c1-16-10-9-15-20(17(16)2)24-23(28)21-25-22(18-11-5-3-6-12-18)27(26-21)19-13-7-4-8-14-19/h3-15H,1-2H3,(H,24,28)
InChIKeyKWWTUELROYQXKO-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2457944) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2457944
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C
InChIInChI=1S/C23H20N4O/c1-16-10-9-15-20(17(16)2)24-23(28)21-25-22(18-11-5-3-6-12-18)27(26-21)19-13-7-4-8-14-19/h3-15H,1-2H3,(H,24,28)
InChIKeyKWWTUELROYQXKO-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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2457944) is N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is KWWTUELROYQXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-10-9-15-20(17(16)2)24-23(28)21-25-22(18-11-5-3-6-12-18)27(26-21)19-13-7-4-8-14-19/h3-15H,1-2H3,(H,24,28).
What are the key properties of N-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(2,3-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-(2,3-dimethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2457944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).