N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide

C11H12N4O — CID 599808

IUPACN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)10-13-11(15-14-10)12-8(2)16/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyKOECQFWEBIBVEN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.74
Rot. Bonds2

About N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 599808) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID599808
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)10-13-11(15-14-10)12-8(2)16/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyKOECQFWEBIBVEN-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide 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-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 599808) is N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is KOECQFWEBIBVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-3-5-9(6-4-7)10-13-11(15-14-10)12-8(2)16/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 216.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 599808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).