2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H17N3O — CID 142156121

IUPAC2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C12H17N3O/c1-3-10(2)7-9-15-12(16)14-8-5-4-6-11(14)13-15/h4-6,8,10H,3,7,9H2,1-2H3
InChIKeyWKECZWQODCBTOE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.93
Rot. Bonds4

About 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 142156121) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID142156121
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C12H17N3O/c1-3-10(2)7-9-15-12(16)14-8-5-4-6-11(14)13-15/h4-6,8,10H,3,7,9H2,1-2H3
InChIKeyWKECZWQODCBTOE-UHFFFAOYSA-N
XLogP1.93
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one 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-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 142156121) is 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCC(C)CCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is WKECZWQODCBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-10(2)7-9-15-12(16)14-8-5-4-6-11(14)13-15/h4-6,8,10H,3,7,9H2,1-2H3.
What are the key properties of 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 219.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 142156121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).