2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide

C11H13N5O — CID 84582047

IUPAC2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-n2cnnc2)nc1
InChIInChI=1S/C11H13N5O/c1-8(2)11(17)15-9-3-4-10(12-5-9)16-6-13-14-7-16/h3-8H,1-2H3,(H,15,17)
InChIKeyQEVJNQLYILMHNI-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.26
Rot. Bonds3

About 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide

2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide (PubChem CID 84582047) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
PubChem CID84582047
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-n2cnnc2)nc1
InChIInChI=1S/C11H13N5O/c1-8(2)11(17)15-9-3-4-10(12-5-9)16-6-13-14-7-16/h3-8H,1-2H3,(H,15,17)
InChIKeyQEVJNQLYILMHNI-UHFFFAOYSA-N
XLogP1.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]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-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide (CID 84582047) is 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(-n2cnnc2)nc1.
What is the InChIKey of 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide?
The InChIKey is QEVJNQLYILMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(2)11(17)15-9-3-4-10(12-5-9)16-6-13-14-7-16/h3-8H,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide?
2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 84582047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).