6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H6F3N5S — CID 556130

IUPAC6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3ccccn3)nn12
InChIInChI=1S/C11H6F3N5S/c12-11(13,14)10-17-16-7-4-5-9(18-19(7)10)20-8-3-1-2-6-15-8/h1-6H
InChIKeyJZHIDCAROUSTHJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.69
Rot. Bonds2

About 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 556130) has the molecular formula C11H6F3N5S and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID556130
Molecular FormulaC11H6F3N5S
Molecular Weight297.27 g/mol
Exact Mass297.03
IUPAC Name6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3ccccn3)nn12
InChIInChI=1S/C11H6F3N5S/c12-11(13,14)10-17-16-7-4-5-9(18-19(7)10)20-8-3-1-2-6-15-8/h1-6H
InChIKeyJZHIDCAROUSTHJ-UHFFFAOYSA-N
XLogP2.69
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 556130) is 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Sc3ccccn3)nn12.
What is the InChIKey of 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JZHIDCAROUSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5S/c12-11(13,14)10-17-16-7-4-5-9(18-19(7)10)20-8-3-1-2-6-15-8/h1-6H.
What are the key properties of 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 297.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 556130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).