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

C7H10N2OS — CID 106549197

IUPAC5-methyl-2-(2-sulfanylethyl)pyridazin-3-one
SMILESCc1cnn(CCS)c(=O)c1
InChIInChI=1S/C7H10N2OS/c1-6-4-7(10)9(2-3-11)8-5-6/h4-5,11H,2-3H2,1H3
InChIKeyGJVOYIIKGTWMSU-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.48
Rot. Bonds2

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

5-methyl-2-(2-sulfanylethyl)pyridazin-3-one (PubChem CID 106549197) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-sulfanylethyl)pyridazin-3-one
PubChem CID106549197
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-methyl-2-(2-sulfanylethyl)pyridazin-3-one
SMILESCc1cnn(CCS)c(=O)c1
InChIInChI=1S/C7H10N2OS/c1-6-4-7(10)9(2-3-11)8-5-6/h4-5,11H,2-3H2,1H3
InChIKeyGJVOYIIKGTWMSU-UHFFFAOYSA-N
XLogP0.48
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
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-Methyl-5-sulfanylpyridazin-3-one
CID 177189415
2-(2-Sulfanylethyl)pyridazin-3-one
CID 80021917
2-(2,2-Dimethyl-3-sulfanylpropyl)pyridazin-3-one
CID 80022212
2-(2-Methyl-3-sulfanylpropyl)pyridazin-3-one
CID 80022315
2-(4-Sulfanylbut-2-enyl)pyridazin-3-one
CID 80022411
2-(3-Sulfanylpropyl)pyridazin-3-one
CID 80022412
2-[2-(Sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103073970

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one (CID 106549197) is 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one is Cc1cnn(CCS)c(=O)c1.
What is the InChIKey of 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one?
The InChIKey is GJVOYIIKGTWMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6-4-7(10)9(2-3-11)8-5-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one?
5-methyl-2-(2-sulfanylethyl)pyridazin-3-one has a molecular weight of 170.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-sulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 106549197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).