5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one

C8H10N2O3S — CID 57128513

IUPAC5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one
SMILESO=C(CS)CCn1ncc(O)cc1=O
InChIInChI=1S/C8H10N2O3S/c11-6(5-14)1-2-10-8(13)3-7(12)4-9-10/h3-4,12,14H,1-2,5H2
InChIKeyDZFSJQWSBUYTPW-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.16
Rot. Bonds4

About 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one

5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one (PubChem CID 57128513) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one
PubChem CID57128513
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one
SMILESO=C(CS)CCn1ncc(O)cc1=O
InChIInChI=1S/C8H10N2O3S/c11-6(5-14)1-2-10-8(13)3-7(12)4-9-10/h3-4,12,14H,1-2,5H2
InChIKeyDZFSJQWSBUYTPW-UHFFFAOYSA-N
XLogP-0.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxy-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 57170722
5-Hydroxy-2-(3-oxobutyl)pyridazin-3-one
CID 57239804
5-Hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one
CID 57288840

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one (CID 57128513) is 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one is O=C(CS)CCn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one?
The InChIKey is DZFSJQWSBUYTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-6(5-14)1-2-10-8(13)3-7(12)4-9-10/h3-4,12,14H,1-2,5H2.
What are the key properties of 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one?
5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one has a molecular weight of 214.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one is sourced from PubChem (CID 57128513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).