4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one

C9H14ClN3OS — CID 114438264

IUPAC4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one
SMILESCCn1ncc(NCCSC)c(Cl)c1=O
InChIInChI=1S/C9H14ClN3OS/c1-3-13-9(14)8(10)7(6-12-13)11-4-5-15-2/h6,11H,3-5H2,1-2H3
InChIKeyKOIMMJIHJALOTJ-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.69
Rot. Bonds5

About 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one (PubChem CID 114438264) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one
PubChem CID114438264
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one
SMILESCCn1ncc(NCCSC)c(Cl)c1=O
InChIInChI=1S/C9H14ClN3OS/c1-3-13-9(14)8(10)7(6-12-13)11-4-5-15-2/h6,11H,3-5H2,1-2H3
InChIKeyKOIMMJIHJALOTJ-UHFFFAOYSA-N
XLogP1.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)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 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one (CID 114438264) is 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one is CCn1ncc(NCCSC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one?
The InChIKey is KOIMMJIHJALOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-3-13-9(14)8(10)7(6-12-13)11-4-5-15-2/h6,11H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one has a molecular weight of 247.75 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one is sourced from PubChem (CID 114438264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).