5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one

C9H16N4OS — CID 103221047

IUPAC5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCSCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C9H16N4OS/c1-15-5-4-13-9(14)6-8(7-12-13)11-3-2-10/h6-7,11H,2-5,10H2,1H3
InChIKeyXOALFFGWRSRGQE-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.02
Rot. Bonds6

About 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one (PubChem CID 103221047) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
PubChem CID103221047
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCSCCn1ncc(NCCN)cc1=O
InChIInChI=1S/C9H16N4OS/c1-15-5-4-13-9(14)6-8(7-12-13)11-3-2-10/h6-7,11H,2-5,10H2,1H3
InChIKeyXOALFFGWRSRGQE-UHFFFAOYSA-N
XLogP-0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)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 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one (CID 103221047) is 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one is CSCCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
The InChIKey is XOALFFGWRSRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-15-5-4-13-9(14)6-8(7-12-13)11-3-2-10/h6-7,11H,2-5,10H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one has a molecular weight of 228.32 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103221047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).