2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C17H17N5O2 — CID 129300723

IUPAC2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H17N5O2/c1-11-7-3-4-9-14(11)24-12(2)16(23)20-17-19-15(21-22-17)13-8-5-6-10-18-13/h3-10,12H,1-2H3,(H2,19,20,21,22,23)
InChIKeySVFXLOAQLFIMSO-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 129300723) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID129300723
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H17N5O2/c1-11-7-3-4-9-14(11)24-12(2)16(23)20-17-19-15(21-22-17)13-8-5-6-10-18-13/h3-10,12H,1-2H3,(H2,19,20,21,22,23)
InChIKeySVFXLOAQLFIMSO-UHFFFAOYSA-N
XLogP2.58
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide 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 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 129300723) is 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is Cc1ccccc1OC(C)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is SVFXLOAQLFIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-7-3-4-9-14(11)24-12(2)16(23)20-17-19-15(21-22-17)13-8-5-6-10-18-13/h3-10,12H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 323.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 129300723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).