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

C12H14F3N3O — CID 165478544

IUPAC2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(CC)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C12H14F3N3O/c1-3-7(4-2)11-16-9-5-8(12(13,14)15)6-10(19)18(9)17-11/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyLKPTVWYFGPADHM-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.94
Rot. Bonds3

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

2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165478544) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165478544
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(CC)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C12H14F3N3O/c1-3-7(4-2)11-16-9-5-8(12(13,14)15)6-10(19)18(9)17-11/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyLKPTVWYFGPADHM-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165478544) is 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCC(CC)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is LKPTVWYFGPADHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-3-7(4-2)11-16-9-5-8(12(13,14)15)6-10(19)18(9)17-11/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 273.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165478544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).