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

C12H14N4O2 — CID 30866756

IUPAC3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c1-18-10-5-3-2-4-9(10)6-7-11(17)15-12-13-8-14-16-12/h2-5,8H,6-7H2,1H3,(H2,13,14,15,16,17)
InChIKeyRORWJJQJNFMBLH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.38
Rot. Bonds5

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

3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30866756) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30866756
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C12H14N4O2/c1-18-10-5-3-2-4-9(10)6-7-11(17)15-12-13-8-14-16-12/h2-5,8H,6-7H2,1H3,(H2,13,14,15,16,17)
InChIKeyRORWJJQJNFMBLH-UHFFFAOYSA-N
XLogP1.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-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 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30866756) is 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is COc1ccccc1CCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is RORWJJQJNFMBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-10-5-3-2-4-9(10)6-7-11(17)15-12-13-8-14-16-12/h2-5,8H,6-7H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30866756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).