3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

C11H10N4O3 — CID 146183954

IUPAC3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3ccccn3c2=O)C(=O)N1
InChIInChI=1S/C11H10N4O3/c16-9-5-4-7(10(17)12-9)15-11(18)14-6-2-1-3-8(14)13-15/h1-3,6-7H,4-5H2,(H,12,16,17)
InChIKeyBEPFPMAXCAZOSF-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.53
Rot. Bonds1

About 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 146183954) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID146183954
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc3ccccn3c2=O)C(=O)N1
InChIInChI=1S/C11H10N4O3/c16-9-5-4-7(10(17)12-9)15-11(18)14-6-2-1-3-8(14)13-15/h1-3,6-7H,4-5H2,(H,12,16,17)
InChIKeyBEPFPMAXCAZOSF-UHFFFAOYSA-N
XLogP-0.53
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione 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-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 146183954) is 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is O=C1CCC(n2nc3ccccn3c2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is BEPFPMAXCAZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-9-5-4-7(10(17)12-9)15-11(18)14-6-2-1-3-8(14)13-15/h1-3,6-7H,4-5H2,(H,12,16,17).
What are the key properties of 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 246.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 146183954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).