2-methyl-5-(1-sulfanylethyl)pyridazin-3-one

C7H10N2OS — CID 154987862

IUPAC2-methyl-5-(1-sulfanylethyl)pyridazin-3-one
SMILESCC(S)c1cnn(C)c(=O)c1
InChIInChI=1S/C7H10N2OS/c1-5(11)6-3-7(10)9(2)8-4-6/h3-5,11H,1-2H3
InChIKeyBODKGOAXJVUUEO-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.77
Rot. Bonds1

About 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one

2-methyl-5-(1-sulfanylethyl)pyridazin-3-one (PubChem CID 154987862) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(1-sulfanylethyl)pyridazin-3-one
PubChem CID154987862
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-methyl-5-(1-sulfanylethyl)pyridazin-3-one
SMILESCC(S)c1cnn(C)c(=O)c1
InChIInChI=1S/C7H10N2OS/c1-5(11)6-3-7(10)9(2)8-4-6/h3-5,11H,1-2H3
InChIKeyBODKGOAXJVUUEO-UHFFFAOYSA-N
XLogP0.77
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(1-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one (CID 154987862) is 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one is CC(S)c1cnn(C)c(=O)c1.
What is the InChIKey of 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one?
The InChIKey is BODKGOAXJVUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(11)6-3-7(10)9(2)8-4-6/h3-5,11H,1-2H3.
What are the key properties of 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one?
2-methyl-5-(1-sulfanylethyl)pyridazin-3-one has a molecular weight of 170.24 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-sulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 154987862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).