5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one

C12H12N2O2S — CID 82419557

IUPAC5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(CS)c(O)cc1=O
InChIInChI=1S/C12H12N2O2S/c1-8-4-2-3-5-10(8)14-12(16)6-11(15)9(7-17)13-14/h2-6,15,17H,7H2,1H3
InChIKeyOLJSQTVHJCRTHG-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.68
Rot. Bonds2

About 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one

5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one (PubChem CID 82419557) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
PubChem CID82419557
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(CS)c(O)cc1=O
InChIInChI=1S/C12H12N2O2S/c1-8-4-2-3-5-10(8)14-12(16)6-11(15)9(7-17)13-14/h2-6,15,17H,7H2,1H3
InChIKeyOLJSQTVHJCRTHG-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.68
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

2-(2,4-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419188
2-(2,5-dimethylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420377
2-(2-fluorophenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82421643
2-(3-chloro-4-methylphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82419409
2-(5-chloro-2-methoxyphenyl)-5-hydroxy-6-(sulfanylmethyl)pyridazin-3-one
CID 82420509
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602
5-hydroxy-6-(sulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 82421448
2-(5-chloro-2-methylphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82422260
2-(2-ethoxyphenyl)-6-(ethylaminomethyl)-5-hydroxypyridazin-3-one
CID 82420300
2-(2-fluorophenyl)-5-hydroxy-6-(propylaminomethyl)pyridazin-3-one
CID 82421632
2-[1-(3-chloro-2-methylphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetonitrile
CID 82420157

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one (CID 82419557) is 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one is Cc1ccccc1-n1nc(CS)c(O)cc1=O.
What is the InChIKey of 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one?
The InChIKey is OLJSQTVHJCRTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-4-2-3-5-10(8)14-12(16)6-11(15)9(7-17)13-14/h2-6,15,17H,7H2,1H3.
What are the key properties of 5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one?
5-hydroxy-2-(2-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one has a molecular weight of 248.31 g/mol, XLogP of 1.68, 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-methylphenyl)-6-(sulfanylmethyl)pyridazin-3-one is sourced from PubChem (CID 82419557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).