5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide

C13H16N4O — CID 42656763

IUPAC5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC(C)C)nn1-c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(2)14-13(18)12-15-10(3)17(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,18)
InChIKeyAAPIWSBNUPDGIW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.71
Rot. Bonds3

About 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide

5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 42656763) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID42656763
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NC(C)C)nn1-c1ccccc1
InChIInChI=1S/C13H16N4O/c1-9(2)14-13(18)12-15-10(3)17(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,18)
InChIKeyAAPIWSBNUPDGIW-UHFFFAOYSA-N
XLogP1.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-phenyl-N-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 42656763) is 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NC(C)C)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is AAPIWSBNUPDGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)14-13(18)12-15-10(3)17(16-12)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,18).
What are the key properties of 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42656763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).