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

C12H8ClN3O — CID 24721482

IUPAC2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(-c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C12H8ClN3O/c13-9-4-3-5-10(8-9)16-12(17)15-7-2-1-6-11(15)14-16/h1-8H
InChIKeyIFQQFDMODIPAQG-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.14
Rot. Bonds1

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

2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 24721482) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID24721482
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(-c2cccc(Cl)c2)nc2ccccn12
InChIInChI=1S/C12H8ClN3O/c13-9-4-3-5-10(8-9)16-12(17)15-7-2-1-6-11(15)14-16/h1-8H
InChIKeyIFQQFDMODIPAQG-UHFFFAOYSA-N
XLogP2.14
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 24721482) is 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(-c2cccc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IFQQFDMODIPAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-9-4-3-5-10(8-9)16-12(17)15-7-2-1-6-11(15)14-16/h1-8H.
What are the key properties of 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 245.67 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 24721482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).