2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C10H10F3N3O — CID 165478539

IUPAC2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C10H10F3N3O/c1-5(2)9-14-7-3-6(10(11,12)13)4-8(17)16(7)15-9/h3-5H,1-2H3,(H,14,15)
InChIKeyGLPYDFOMDBWPRA-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.16
Rot. Bonds1

About 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165478539) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165478539
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C10H10F3N3O/c1-5(2)9-14-7-3-6(10(11,12)13)4-8(17)16(7)15-9/h3-5H,1-2H3,(H,14,15)
InChIKeyGLPYDFOMDBWPRA-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165478539) is 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is GLPYDFOMDBWPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-5(2)9-14-7-3-6(10(11,12)13)4-8(17)16(7)15-9/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 245.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165478539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).