4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one

C10H6Cl2N2O2S — CID 8862662

IUPAC4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1cccs1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-4-13-14(10(16)9(6)12)5-7(15)8-2-1-3-17-8/h1-4H,5H2
InChIKeyNMEJDIQDQNOELH-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.49
Rot. Bonds3

About 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one

4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one (PubChem CID 8862662) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one
PubChem CID8862662
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1cccs1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-4-13-14(10(16)9(6)12)5-7(15)8-2-1-3-17-8/h1-4H,5H2
InChIKeyNMEJDIQDQNOELH-UHFFFAOYSA-N
XLogP2.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)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 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one (CID 8862662) is 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)c1cccs1.
What is the InChIKey of 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one?
The InChIKey is NMEJDIQDQNOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-6-4-13-14(10(16)9(6)12)5-7(15)8-2-1-3-17-8/h1-4H,5H2.
What are the key properties of 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one?
4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one has a molecular weight of 289.14 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(2-oxo-2-thiophen-2-ylethyl)pyridazin-3-one is sourced from PubChem (CID 8862662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).