N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

C11H12N4O2 — CID 585908

IUPACN-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O2/c1-17-9-4-2-8(3-5-9)6-12-11(16)10-13-7-14-15-10/h2-5,7H,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyVZBQBDSFRRPUSA-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.74
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 585908) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID585908
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ncn[nH]2)cc1
InChIInChI=1S/C11H12N4O2/c1-17-9-4-2-8(3-5-9)6-12-11(16)10-13-7-14-15-10/h2-5,7H,6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyVZBQBDSFRRPUSA-UHFFFAOYSA-N
XLogP0.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-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 N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 585908) is N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is COc1ccc(CNC(=O)c2ncn[nH]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is VZBQBDSFRRPUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-9-4-2-8(3-5-9)6-12-11(16)10-13-7-14-15-10/h2-5,7H,6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 585908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).