3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H12F2N4OS — CID 84593763

IUPAC3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1nnc2ccc(SC3CCOCC3)nn12
InChIInChI=1S/C11H12F2N4OS/c12-10(13)11-15-14-8-1-2-9(16-17(8)11)19-7-3-5-18-6-4-7/h1-2,7,10H,3-6H2
InChIKeyMMOKEDNUORNFKD-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.33
Rot. Bonds3

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

3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 84593763) has the molecular formula C11H12F2N4OS and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID84593763
Molecular FormulaC11H12F2N4OS
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1nnc2ccc(SC3CCOCC3)nn12
InChIInChI=1S/C11H12F2N4OS/c12-10(13)11-15-14-8-1-2-9(16-17(8)11)19-7-3-5-18-6-4-7/h1-2,7,10H,3-6H2
InChIKeyMMOKEDNUORNFKD-UHFFFAOYSA-N
XLogP2.33
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 84593763) is 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)c1nnc2ccc(SC3CCOCC3)nn12.
What is the InChIKey of 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MMOKEDNUORNFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4OS/c12-10(13)11-15-14-8-1-2-9(16-17(8)11)19-7-3-5-18-6-4-7/h1-2,7,10H,3-6H2.
What are the key properties of 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 286.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 84593763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).