N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide

C13H16N4O2 — CID 45497223

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cn(C)nn1
InChIInChI=1S/C13H16N4O2/c1-17-9-11(15-16-17)13(18)14-8-7-10-5-3-4-6-12(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,14,18)
InChIKeyPOOZSRQOHZMHPT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 45497223) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
PubChem CID45497223
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cn(C)nn1
InChIInChI=1S/C13H16N4O2/c1-17-9-11(15-16-17)13(18)14-8-7-10-5-3-4-6-12(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,14,18)
InChIKeyPOOZSRQOHZMHPT-UHFFFAOYSA-N
XLogP0.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-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 N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide (CID 45497223) is N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide is COc1ccccc1CCNC(=O)c1cn(C)nn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is POOZSRQOHZMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-9-11(15-16-17)13(18)14-8-7-10-5-3-4-6-12(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 45497223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).