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

C12H14F3N3O — CID 165478547

IUPAC2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(C)(C)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C12H14F3N3O/c1-4-11(2,3)10-16-8-5-7(12(13,14)15)6-9(19)18(8)17-10/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyHWDPZQBBKGOGDW-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.73
Rot. Bonds2

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

2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165478547) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165478547
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(C)(C)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C12H14F3N3O/c1-4-11(2,3)10-16-8-5-7(12(13,14)15)6-9(19)18(8)17-10/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyHWDPZQBBKGOGDW-UHFFFAOYSA-N
XLogP2.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-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-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165478547) is 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCC(C)(C)c1nc2cc(C(F)(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is HWDPZQBBKGOGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-4-11(2,3)10-16-8-5-7(12(13,14)15)6-9(19)18(8)17-10/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(2-methylbutan-2-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 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165478547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).