4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one

C13H14ClN3O — CID 33323919

IUPAC4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCc1ccccc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H14ClN3O/c1-9-5-3-4-6-10(9)7-15-11-8-16-17(2)13(18)12(11)14/h3-6,8,15H,7H2,1-2H3
InChIKeyCHRZREREJAMYBV-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.35
Rot. Bonds3

About 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one

4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one (PubChem CID 33323919) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one
PubChem CID33323919
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one
SMILESCc1ccccc1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C13H14ClN3O/c1-9-5-3-4-6-10(9)7-15-11-8-16-17(2)13(18)12(11)14/h3-6,8,15H,7H2,1-2H3
InChIKeyCHRZREREJAMYBV-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]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-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one (CID 33323919) is 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one is Cc1ccccc1CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
The InChIKey is CHRZREREJAMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-5-3-4-6-10(9)7-15-11-8-16-17(2)13(18)12(11)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one has a molecular weight of 263.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2-methylphenyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 33323919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).