2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H10F3N3O — CID 176752764

IUPAC2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)n1nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C10H10F3N3O/c1-6(2)16-9(17)15-5-3-4-7(8(15)14-16)10(11,12)13/h3-6H,1-2H3
InChIKeyKNNCPRGJFUBCRH-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.10
Rot. Bonds1

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

2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 176752764) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID176752764
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(C)n1nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C10H10F3N3O/c1-6(2)16-9(17)15-5-3-4-7(8(15)14-16)10(11,12)13/h3-6H,1-2H3
InChIKeyKNNCPRGJFUBCRH-UHFFFAOYSA-N
XLogP2.10
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 176752764) is 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(C)n1nc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KNNCPRGJFUBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-6(2)16-9(17)15-5-3-4-7(8(15)14-16)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 245.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 176752764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).