1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone

C9H6F3N3O — CID 172727883

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCC(=O)c1cccc2nc(C(F)(F)F)nn12
InChIInChI=1S/C9H6F3N3O/c1-5(16)6-3-2-4-7-13-8(9(10,11)12)14-15(6)7/h2-4H,1H3
InChIKeyHJVCMJSIEHGSHW-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.95
Rot. Bonds1

About 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (PubChem CID 172727883) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
PubChem CID172727883
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCC(=O)c1cccc2nc(C(F)(F)F)nn12
InChIInChI=1S/C9H6F3N3O/c1-5(16)6-3-2-4-7-13-8(9(10,11)12)14-15(6)7/h2-4H,1H3
InChIKeyHJVCMJSIEHGSHW-UHFFFAOYSA-N
XLogP1.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (CID 172727883) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is CC(=O)c1cccc2nc(C(F)(F)F)nn12.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The InChIKey is HJVCMJSIEHGSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c1-5(16)6-3-2-4-7-13-8(9(10,11)12)14-15(6)7/h2-4H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone has a molecular weight of 229.16 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is sourced from PubChem (CID 172727883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).