6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H8N4O2S — CID 113430141

IUPAC6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(Sc3cccc(O)c3)nn12
InChIInChI=1S/C11H8N4O2S/c16-7-2-1-3-8(6-7)18-10-5-4-9-12-13-11(17)15(9)14-10/h1-6,16H,(H,13,17)
InChIKeyAEXOJEPLGZSODZ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.27
Rot. Bonds2

About 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 113430141) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID113430141
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(Sc3cccc(O)c3)nn12
InChIInChI=1S/C11H8N4O2S/c16-7-2-1-3-8(6-7)18-10-5-4-9-12-13-11(17)15(9)14-10/h1-6,16H,(H,13,17)
InChIKeyAEXOJEPLGZSODZ-UHFFFAOYSA-N
XLogP1.27
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 113430141) is 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(Sc3cccc(O)c3)nn12.
What is the InChIKey of 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is AEXOJEPLGZSODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-7-2-1-3-8(6-7)18-10-5-4-9-12-13-11(17)15(9)14-10/h1-6,16H,(H,13,17).
What are the key properties of 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 260.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 113430141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).