8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C9H10FN3O — CID 177158574

IUPAC8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)n1nc2c(F)cccn2c1=O
InChIInChI=1S/C9H10FN3O/c1-6(2)13-9(14)12-5-3-4-7(10)8(12)11-13/h3-6H,1-2H3
InChIKeyREYWZVDZTPKUQZ-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.22
Rot. Bonds1

About 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 177158574) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID177158574
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)n1nc2c(F)cccn2c1=O
InChIInChI=1S/C9H10FN3O/c1-6(2)13-9(14)12-5-3-4-7(10)8(12)11-13/h3-6H,1-2H3
InChIKeyREYWZVDZTPKUQZ-UHFFFAOYSA-N
XLogP1.22
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 177158574) is 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(C)n1nc2c(F)cccn2c1=O.
What is the InChIKey of 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is REYWZVDZTPKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-6(2)13-9(14)12-5-3-4-7(10)8(12)11-13/h3-6H,1-2H3.
What are the key properties of 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 195.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 177158574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).