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

C9H8F3N3O — CID 165470663

IUPAC2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCc1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C9H8F3N3O/c1-2-6-13-7-3-5(9(10,11)12)4-8(16)15(7)14-6/h3-4H,2H2,1H3,(H,13,14)
InChIKeyKAQUXBCMTJGFRE-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.60
Rot. Bonds1

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

2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165470663) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165470663
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCc1nc2cc(C(F)(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C9H8F3N3O/c1-2-6-13-7-3-5(9(10,11)12)4-8(16)15(7)14-6/h3-4H,2H2,1H3,(H,13,14)
InChIKeyKAQUXBCMTJGFRE-UHFFFAOYSA-N
XLogP1.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-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-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165470663) is 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCc1nc2cc(C(F)(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is KAQUXBCMTJGFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-2-6-13-7-3-5(9(10,11)12)4-8(16)15(7)14-6/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 231.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(trifluoromethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165470663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).