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

C17H16N4O — CID 13132138

IUPAC1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)c(C)c1
InChIInChI=1S/C17H16N4O/c1-11-8-9-14(12(2)10-11)21-17(13-6-4-3-5-7-13)19-16(20-21)15(18)22/h3-10H,1-2H3,(H2,18,22)
InChIKeyZMBMFXZBQSRPHP-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.65
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 13132138) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID13132138
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)c(C)c1
InChIInChI=1S/C17H16N4O/c1-11-8-9-14(12(2)10-11)21-17(13-6-4-3-5-7-13)19-16(20-21)15(18)22/h3-10H,1-2H3,(H2,18,22)
InChIKeyZMBMFXZBQSRPHP-UHFFFAOYSA-N
XLogP2.65
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenyl)-5-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

1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301
1-(2-methylphenyl)-5-(4-methylphenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
CID 14904628
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
1-(2-methylphenyl)-N,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 50745567
1-(2,4-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940423
1-[3-(aminomethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
CID 151923976
1-(3-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
CID 13292324
1-[5-(1-butoxy-2-methylpropyl)-2-methylphenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
CID 67742565
5-chloro-1-(2,4-dimethylphenyl)-3-phenylpyrazole
CID 66021165
5-benzyl-1-(2,4-dimethylphenyl)triazole-4-carboxylic acid
CID 94940495
1-(2-bromophenyl)-5-phenyl-1,2,4-triazole-3-carboxylic acid
CID 29060309
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide (CID 13132138) is 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(N)=O)nc2-c2ccccc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ZMBMFXZBQSRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-8-9-14(12(2)10-11)21-17(13-6-4-3-5-7-13)19-16(20-21)15(18)22/h3-10H,1-2H3,(H2,18,22).
What are the key properties of 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 13132138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).