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

C22H18N4O — CID 50745567

IUPAC1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H18N4O/c1-16-10-8-9-15-19(16)26-21(17-11-4-2-5-12-17)24-20(25-26)22(27)23-18-13-6-3-7-14-18/h2-15H,1H3,(H,23,27)
InChIKeyGMLVNGBVFZBQBF-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.50
Rot. Bonds4

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

1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 50745567) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID50745567
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H18N4O/c1-16-10-8-9-15-19(16)26-21(17-11-4-2-5-12-17)24-20(25-26)22(27)23-18-13-6-3-7-14-18/h2-15H,1H3,(H,23,27)
InChIKeyGMLVNGBVFZBQBF-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745606
N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745726
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(3-methoxyphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4849380
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 18204542
N-(4-bromophenyl)-5-phenyl-1-pyridin-3-yl-1,2,4-triazole-3-carboxamide
CID 11647434

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 50745567) is 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GMLVNGBVFZBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-16-10-8-9-15-19(16)26-21(17-11-4-2-5-12-17)24-20(25-26)22(27)23-18-13-6-3-7-14-18/h2-15H,1H3,(H,23,27).
What are the key properties of 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide?
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 50745567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).