2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one

C17H14ClN3O — CID 23647366

IUPAC2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one
SMILESCc1ccccc1Nc1ccc(=O)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN3O/c1-12-6-2-4-8-14(12)19-16-10-11-17(22)21(20-16)15-9-5-3-7-13(15)18/h2-11H,1H3,(H,19,20)
InChIKeyURYGFZDMQNLMKD-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.94
Rot. Bonds3

About 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one

2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one (PubChem CID 23647366) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one
PubChem CID23647366
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one
SMILESCc1ccccc1Nc1ccc(=O)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H14ClN3O/c1-12-6-2-4-8-14(12)19-16-10-11-17(22)21(20-16)15-9-5-3-7-13(15)18/h2-11H,1H3,(H,19,20)
InChIKeyURYGFZDMQNLMKD-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-6-(2-methylanilino)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 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one?
The IUPAC name of 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one (CID 23647366) is 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one is Cc1ccccc1Nc1ccc(=O)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one?
The InChIKey is URYGFZDMQNLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-6-2-4-8-14(12)19-16-10-11-17(22)21(20-16)15-9-5-3-7-13(15)18/h2-11H,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one?
2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one has a molecular weight of 311.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-(2-methylanilino)pyridazin-3-one is sourced from PubChem (CID 23647366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).