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

C11H16N4O — CID 43428373

IUPAC2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(CCN)n1nc2ccccn2c1=O
InChIInChI=1S/C11H16N4O/c1-2-9(6-7-12)15-11(16)14-8-4-3-5-10(14)13-15/h3-5,8-9H,2,6-7,12H2,1H3
InChIKeyJVALKGZNMVEOMU-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.80
Rot. Bonds4

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

2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43428373) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43428373
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCC(CCN)n1nc2ccccn2c1=O
InChIInChI=1S/C11H16N4O/c1-2-9(6-7-12)15-11(16)14-8-4-3-5-10(14)13-15/h3-5,8-9H,2,6-7,12H2,1H3
InChIKeyJVALKGZNMVEOMU-UHFFFAOYSA-N
XLogP0.80
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminopentan-3-yl)-[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-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43428373) is 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCC(CCN)n1nc2ccccn2c1=O.
What is the InChIKey of 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is JVALKGZNMVEOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-9(6-7-12)15-11(16)14-8-4-3-5-10(14)13-15/h3-5,8-9H,2,6-7,12H2,1H3.
What are the key properties of 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 220.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43428373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).