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

C7H10N2O4S — CID 57248244

IUPAC5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one
SMILESCS(=O)(=O)CCn1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O4S/c1-14(12,13)3-2-9-7(11)4-6(10)5-8-9/h4-5,10H,2-3H2,1H3
InChIKeyXKIGEBZNQCWMHN-UHFFFAOYSA-N
MW218.23 g/mol
LogP-1.01
Rot. Bonds3

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

5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one (PubChem CID 57248244) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one
PubChem CID57248244
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one
SMILESCS(=O)(=O)CCn1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O4S/c1-14(12,13)3-2-9-7(11)4-6(10)5-8-9/h4-5,10H,2-3H2,1H3
InChIKeyXKIGEBZNQCWMHN-UHFFFAOYSA-N
XLogP-1.01
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
CID 57014562
5-Hydroxy-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 57170722
5-Hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one
CID 57288840
3(2H)-Pyridazinone, 5-(ethylsulfonyl)-2-methyl-
CID 10943542
5-Iodo-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 114553344

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one (CID 57248244) is 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one is CS(=O)(=O)CCn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one?
The InChIKey is XKIGEBZNQCWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-14(12,13)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-methylsulfonylethyl)pyridazin-3-one?
5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one has a molecular weight of 218.23 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one is sourced from PubChem (CID 57248244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).