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

C23H20N4O — CID 14904628

IUPAC1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2C)cc1
InChIInChI=1S/C23H20N4O/c1-16-12-14-18(15-13-16)22-25-21(23(28)24-19-9-4-3-5-10-19)26-27(22)20-11-7-6-8-17(20)2/h3-15H,1-2H3,(H,24,28)
InChIKeyATUMFBZNOLSHKP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds4

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

1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 14904628) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID14904628
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2C)cc1
InChIInChI=1S/C23H20N4O/c1-16-12-14-18(15-13-16)22-25-21(23(28)24-19-9-4-3-5-10-19)26-27(22)20-11-7-6-8-17(20)2/h3-15H,1-2H3,(H,24,28)
InChIKeyATUMFBZNOLSHKP-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

Analyze 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
N-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745726
1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745606
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774
1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 13132138
1-(2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652629
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
N-(4-bromophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745504
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide (CID 14904628) is 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ATUMFBZNOLSHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-12-14-18(15-13-16)22-25-21(23(28)24-19-9-4-3-5-10-19)26-27(22)20-11-7-6-8-17(20)2/h3-15H,1-2H3,(H,24,28).
What are the key properties of 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide?
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-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 1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14904628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).