2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol

C9H10F2N4OS — CID 133428218

IUPAC2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol
SMILESCC(CO)Sc1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C9H10F2N4OS/c1-5(4-16)17-7-3-2-6-12-13-9(8(10)11)15(6)14-7/h2-3,5,8,16H,4H2,1H3
InChIKeyGBMOGPUQXLIVAJ-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.53
Rot. Bonds4

About 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol

2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol (PubChem CID 133428218) has the molecular formula C9H10F2N4OS and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol
PubChem CID133428218
Molecular FormulaC9H10F2N4OS
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol
SMILESCC(CO)Sc1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C9H10F2N4OS/c1-5(4-16)17-7-3-2-6-12-13-9(8(10)11)15(6)14-7/h2-3,5,8,16H,4H2,1H3
InChIKeyGBMOGPUQXLIVAJ-UHFFFAOYSA-N
XLogP1.53
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol?
The IUPAC name of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol (CID 133428218) is 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol is CC(CO)Sc1ccc2nnc(C(F)F)n2n1.
What is the InChIKey of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol?
The InChIKey is GBMOGPUQXLIVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4OS/c1-5(4-16)17-7-3-2-6-12-13-9(8(10)11)15(6)14-7/h2-3,5,8,16H,4H2,1H3.
What are the key properties of 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol?
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol has a molecular weight of 260.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 133428218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).