5-methyl-N,1-diphenyltriazole-4-carboxamide

C16H14N4O — CID 6464018

IUPAC5-methyl-N,1-diphenyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(16(21)17-13-8-4-2-5-9-13)18-19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,21)
InChIKeyWWOBVTHQTMDHNK-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-N,1-diphenyltriazole-4-carboxamide

5-methyl-N,1-diphenyltriazole-4-carboxamide (PubChem CID 6464018) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-N,1-diphenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N,1-diphenyltriazole-4-carboxamide
PubChem CID6464018
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-methyl-N,1-diphenyltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(16(21)17-13-8-4-2-5-9-13)18-19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,21)
InChIKeyWWOBVTHQTMDHNK-UHFFFAOYSA-N
XLogP2.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N,1-diphenyltriazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,1-diphenyltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N,1-diphenyltriazole-4-carboxamide (CID 6464018) is 5-methyl-N,1-diphenyltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N,1-diphenyltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N,1-diphenyltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N,1-diphenyltriazole-4-carboxamide?
The InChIKey is WWOBVTHQTMDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-15(16(21)17-13-8-4-2-5-9-13)18-19-20(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,21).
What are the key properties of 5-methyl-N,1-diphenyltriazole-4-carboxamide?
5-methyl-N,1-diphenyltriazole-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,1-diphenyltriazole-4-carboxamide is sourced from PubChem (CID 6464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).