5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one

C10H18N4OS — CID 103223367

IUPAC5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCSCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C10H18N4OS/c1-13(4-3-11)9-7-10(15)14(12-8-9)5-6-16-2/h7-8H,3-6,11H2,1-2H3
InChIKeyHTTGTLZWBHQQSM-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.00
Rot. Bonds6

About 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one (PubChem CID 103223367) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one
PubChem CID103223367
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one
SMILESCSCCn1ncc(N(C)CCN)cc1=O
InChIInChI=1S/C10H18N4OS/c1-13(4-3-11)9-7-10(15)14(12-8-9)5-6-16-2/h7-8H,3-6,11H2,1-2H3
InChIKeyHTTGTLZWBHQQSM-UHFFFAOYSA-N
XLogP0.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-aminoethyl(methyl)amino]-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-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one (CID 103223367) is 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one is CSCCn1ncc(N(C)CCN)cc1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one?
The InChIKey is HTTGTLZWBHQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-13(4-3-11)9-7-10(15)14(12-8-9)5-6-16-2/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one has a molecular weight of 242.35 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(2-methylsulfanylethyl)pyridazin-3-one is sourced from PubChem (CID 103223367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).