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

C9H16N4O3S — CID 103220978

IUPAC5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one
SMILESCS(=O)(=O)CCn1ncc(NCCN)cc1=O
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)5-4-13-9(14)6-8(7-12-13)11-3-2-10/h6-7,11H,2-5,10H2,1H3
InChIKeyPWGIHHZHDDKDSM-UHFFFAOYSA-N
MW260.32 g/mol
LogP-1.34
Rot. Bonds6

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

5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one (PubChem CID 103220978) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one
PubChem CID103220978
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one
SMILESCS(=O)(=O)CCn1ncc(NCCN)cc1=O
InChIInChI=1S/C9H16N4O3S/c1-17(15,16)5-4-13-9(14)6-8(7-12-13)11-3-2-10/h6-7,11H,2-5,10H2,1H3
InChIKeyPWGIHHZHDDKDSM-UHFFFAOYSA-N
XLogP-1.34
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)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-methylsulfonylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one (CID 103220978) is 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one is CS(=O)(=O)CCn1ncc(NCCN)cc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one?
The InChIKey is PWGIHHZHDDKDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-17(15,16)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-methylsulfonylethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one has a molecular weight of 260.32 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(2-methylsulfonylethyl)pyridazin-3-one is sourced from PubChem (CID 103220978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).