4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

C12H11ClN2O2 — CID 1487480

IUPAC4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cnn(-c2ccc(C)cc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8-3-5-9(6-4-8)15-12(16)11(13)10(17-2)7-14-15/h3-7H,1-2H3
InChIKeyNWXSHGSEVYLBLZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.20
Rot. Bonds2

About 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 1487480) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
PubChem CID1487480
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cnn(-c2ccc(C)cc2)c(=O)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8-3-5-9(6-4-8)15-12(16)11(13)10(17-2)7-14-15/h3-7H,1-2H3
InChIKeyNWXSHGSEVYLBLZ-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-methoxy-2-(4-methylphenyl)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-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (CID 1487480) is 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is COc1cnn(-c2ccc(C)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is NWXSHGSEVYLBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-3-5-9(6-4-8)15-12(16)11(13)10(17-2)7-14-15/h3-7H,1-2H3.
What are the key properties of 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 250.69 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 1487480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).