6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C8H10N4OS — CID 22425642

IUPAC6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)Sc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C8H10N4OS/c1-5(2)14-7-4-3-6-9-10-8(13)12(6)11-7/h3-5H,1-2H3,(H,10,13)
InChIKeyQNNMYCPDIQGKGB-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.92
Rot. Bonds2

About 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 22425642) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID22425642
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)Sc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C8H10N4OS/c1-5(2)14-7-4-3-6-9-10-8(13)12(6)11-7/h3-5H,1-2H3,(H,10,13)
InChIKeyQNNMYCPDIQGKGB-UHFFFAOYSA-N
XLogP0.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 22425642) is 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(C)Sc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is QNNMYCPDIQGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5(2)14-7-4-3-6-9-10-8(13)12(6)11-7/h3-5H,1-2H3,(H,10,13).
What are the key properties of 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 210.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 22425642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).