5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one

C7H10N2O3S — CID 57014562

IUPAC5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
SMILESCS(=O)CCn1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O3S/c1-13(12)3-2-9-7(11)4-6(10)5-8-9/h4-5,10H,2-3H2,1H3
InChIKeyWBCNGQVXBLGYBN-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.67
Rot. Bonds3

About 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one

5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one (PubChem CID 57014562) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
PubChem CID57014562
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
SMILESCS(=O)CCn1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O3S/c1-13(12)3-2-9-7(11)4-6(10)5-8-9/h4-5,10H,2-3H2,1H3
InChIKeyWBCNGQVXBLGYBN-UHFFFAOYSA-N
XLogP-0.67
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one (CID 57014562) is 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one is CS(=O)CCn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one?
The InChIKey is WBCNGQVXBLGYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-13(12)3-2-9-7(11)4-6(10)5-8-9/h4-5,10H,2-3H2,1H3.
What are the key properties of 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one?
5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one has a molecular weight of 202.23 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one is sourced from PubChem (CID 57014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).