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

C9H8F3N3O — CID 115579332

IUPAC2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCC(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)4-6-15-8(16)14-5-2-1-3-7(14)13-15/h1-3,5H,4,6H2
InChIKeyIKQMZGUYRSHHKE-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.45
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115579332) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115579332
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCC(F)(F)F)nc2ccccn12
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)4-6-15-8(16)14-5-2-1-3-7(14)13-15/h1-3,5H,4,6H2
InChIKeyIKQMZGUYRSHHKE-UHFFFAOYSA-N
XLogP1.45
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,3,3-trifluoropropyl)-[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-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115579332) is 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCC(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IKQMZGUYRSHHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)4-6-15-8(16)14-5-2-1-3-7(14)13-15/h1-3,5H,4,6H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 231.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115579332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).