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

C7H10N2O2S — CID 57288840

IUPAC5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one
SMILESCC(S)Cn1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O2S/c1-5(12)4-9-7(11)2-6(10)3-8-9/h2-3,5,10,12H,4H2,1H3
InChIKeyQEEIBAQPGFDYQL-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.27
Rot. Bonds2

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

5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one (PubChem CID 57288840) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one
PubChem CID57288840
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one
SMILESCC(S)Cn1ncc(O)cc1=O
InChIInChI=1S/C7H10N2O2S/c1-5(12)4-9-7(11)2-6(10)3-8-9/h2-3,5,10,12H,4H2,1H3
InChIKeyQEEIBAQPGFDYQL-UHFFFAOYSA-N
XLogP0.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-2-(2-methylsulfinylethyl)pyridazin-3-one
CID 57014562
5-Hydroxy-2-(3-oxo-4-sulfanylbutyl)pyridazin-3-one
CID 57128513
5-Hydroxy-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 57170722
5-Hydroxy-2-(2-methylsulfonylethyl)pyridazin-3-one
CID 57248244
5-Hydroxy-2-propan-2-ylpyridazin-3-one
CID 129450951
2-Ethyl-5-sulfanylpyridazin-3-one
CID 167137932
2-Ethyl-4-ethylsulfanyl-5-hydroxypyridazin-3-one
CID 85582613
5-Hydroxy-2-(2-methylpropyl)pyridazin-3-one
CID 129450962
2-Ethyl-5-hydroxy-2,3-dihydropyridazin-3-one
CID 129452088

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one (CID 57288840) is 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one is CC(S)Cn1ncc(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one?
The InChIKey is QEEIBAQPGFDYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5(12)4-9-7(11)2-6(10)3-8-9/h2-3,5,10,12H,4H2,1H3.
What are the key properties of 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one?
5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one has a molecular weight of 186.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-sulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 57288840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).