[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite

C15H9F2N5S — CID 145448708

IUPAC[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite
SMILESFSn1cc(-c2ccc3nncn3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H9F2N5S/c16-12-4-1-10(2-5-12)15-13(8-22(20-15)23-17)11-3-6-14-19-18-9-21(14)7-11/h1-9H
InChIKeyGDUDTKHKQJSUEB-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.78
Rot. Bonds3

About [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite

[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite (PubChem CID 145448708) has the molecular formula C15H9F2N5S and a molecular weight of 329.34 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite
PubChem CID145448708
Molecular FormulaC15H9F2N5S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite
SMILESFSn1cc(-c2ccc3nncn3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H9F2N5S/c16-12-4-1-10(2-5-12)15-13(8-22(20-15)23-17)11-3-6-14-19-18-9-21(14)7-11/h1-9H
InChIKeyGDUDTKHKQJSUEB-UHFFFAOYSA-N
XLogP3.78
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite?
The IUPAC name of [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite (CID 145448708) is [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite is FSn1cc(-c2ccc3nncn3c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite?
The InChIKey is GDUDTKHKQJSUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5S/c16-12-4-1-10(2-5-12)15-13(8-22(20-15)23-17)11-3-6-14-19-18-9-21(14)7-11/h1-9H.
What are the key properties of [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite?
[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite has a molecular weight of 329.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 145448708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).