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

C8H12N2OS — CID 106549185

IUPAC5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one
SMILESCc1cnn(CCCS)c(=O)c1
InChIInChI=1S/C8H12N2OS/c1-7-5-8(11)10(9-6-7)3-2-4-12/h5-6,12H,2-4H2,1H3
InChIKeyDPJQKWVIZMZYOE-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.87
Rot. Bonds3

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

5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one (PubChem CID 106549185) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one
PubChem CID106549185
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one
SMILESCc1cnn(CCCS)c(=O)c1
InChIInChI=1S/C8H12N2OS/c1-7-5-8(11)10(9-6-7)3-2-4-12/h5-6,12H,2-4H2,1H3
InChIKeyDPJQKWVIZMZYOE-UHFFFAOYSA-N
XLogP0.87
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
2-Tert-butyl-5-sulfanylpyridazin-3-one
CID 22401211
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
2-Methyl-5-(1-sulfanylethyl)pyridazin-3-one
CID 154987862
2-Ethyl-5-sulfanylpyridazin-3-one
CID 167137932
2-(2-Sulfanylethyl)pyridazin-3-one
CID 80021917
2-(2,2-Dimethyl-3-sulfanylpropyl)pyridazin-3-one
CID 80022212
2-[2-(Sulfanylmethyl)butyl]pyridazin-3-one
CID 80022214
2-(2-Methyl-3-sulfanylpropyl)pyridazin-3-one
CID 80022315

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one (CID 106549185) is 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one is Cc1cnn(CCCS)c(=O)c1.
What is the InChIKey of 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one?
The InChIKey is DPJQKWVIZMZYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-7-5-8(11)10(9-6-7)3-2-4-12/h5-6,12H,2-4H2,1H3.
What are the key properties of 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one?
5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one has a molecular weight of 184.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-sulfanylpropyl)pyridazin-3-one is sourced from PubChem (CID 106549185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).