N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C24H19N7O — CID 55826182

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)n[nH]1
InChIInChI=1S/C24H19N7O/c1-16-25-21(29-28-16)18-11-8-12-19(15-18)26-24(32)22-27-23(17-9-4-2-5-10-17)31(30-22)20-13-6-3-7-14-20/h2-15H,1H3,(H,26,32)(H,25,28,29)
InChIKeyNTZLKBWFRPYSGE-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.28
Rot. Bonds5

About N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 55826182) has the molecular formula C24H19N7O and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID55826182
Molecular FormulaC24H19N7O
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)n[nH]1
InChIInChI=1S/C24H19N7O/c1-16-25-21(29-28-16)18-11-8-12-19(15-18)26-24(32)22-27-23(17-9-4-2-5-10-17)31(30-22)20-13-6-3-7-14-20/h2-15H,1H3,(H,26,32)(H,25,28,29)
InChIKeyNTZLKBWFRPYSGE-UHFFFAOYSA-N
XLogP4.28
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 52668699
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 136578425
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 55826182) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1nc(-c2cccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is NTZLKBWFRPYSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O/c1-16-25-21(29-28-16)18-11-8-12-19(15-18)26-24(32)22-27-23(17-9-4-2-5-10-17)31(30-22)20-13-6-3-7-14-20/h2-15H,1H3,(H,26,32)(H,25,28,29).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55826182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).