6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H9N5OS — CID 166630897

IUPAC6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(Sc2ccc3n[nH]c(=O)n3n2)nc1
InChIInChI=1S/C11H9N5OS/c1-7-2-4-9(12-6-7)18-10-5-3-8-13-14-11(17)16(8)15-10/h2-6H,1H3,(H,14,17)
InChIKeySYGWTVKFCDQGHX-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.27
Rot. Bonds2

About 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 166630897) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID166630897
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(Sc2ccc3n[nH]c(=O)n3n2)nc1
InChIInChI=1S/C11H9N5OS/c1-7-2-4-9(12-6-7)18-10-5-3-8-13-14-11(17)16(8)15-10/h2-6H,1H3,(H,14,17)
InChIKeySYGWTVKFCDQGHX-UHFFFAOYSA-N
XLogP1.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 166630897) is 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1ccc(Sc2ccc3n[nH]c(=O)n3n2)nc1.
What is the InChIKey of 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SYGWTVKFCDQGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-7-2-4-9(12-6-7)18-10-5-3-8-13-14-11(17)16(8)15-10/h2-6H,1H3,(H,14,17).
What are the key properties of 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 259.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-2-pyridinyl)sulfanyl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 166630897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).