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

C10H11N3O2 — CID 178185716

IUPAC2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(=O)C(C)n1nc2ccccn2c1=O
InChIInChI=1S/C10H11N3O2/c1-7(8(2)14)13-10(15)12-6-4-3-5-9(12)11-13/h3-7H,1-2H3
InChIKeyOWDWMZRKBOANAF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.65
Rot. Bonds2

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

2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 178185716) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID178185716
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(=O)C(C)n1nc2ccccn2c1=O
InChIInChI=1S/C10H11N3O2/c1-7(8(2)14)13-10(15)12-6-4-3-5-9(12)11-13/h3-7H,1-2H3
InChIKeyOWDWMZRKBOANAF-UHFFFAOYSA-N
XLogP0.65
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 178185716) is 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(=O)C(C)n1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OWDWMZRKBOANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(8(2)14)13-10(15)12-6-4-3-5-9(12)11-13/h3-7H,1-2H3.
What are the key properties of 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 178185716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).