6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one

C12H12ClN3O — CID 168928421

IUPAC6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one
SMILESCc1ccc(N)cc1-c1cc(Cl)c(=O)n(C)n1
InChIInChI=1S/C12H12ClN3O/c1-7-3-4-8(14)5-9(7)11-6-10(13)12(17)16(2)15-11/h3-6H,14H2,1-2H3
InChIKeyOWBGSNQSDBGJOT-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.99
Rot. Bonds1

About 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one

6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one (PubChem CID 168928421) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one
PubChem CID168928421
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one
SMILESCc1ccc(N)cc1-c1cc(Cl)c(=O)n(C)n1
InChIInChI=1S/C12H12ClN3O/c1-7-3-4-8(14)5-9(7)11-6-10(13)12(17)16(2)15-11/h3-6H,14H2,1-2H3
InChIKeyOWBGSNQSDBGJOT-UHFFFAOYSA-N
XLogP1.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-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 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one (CID 168928421) is 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one is Cc1ccc(N)cc1-c1cc(Cl)c(=O)n(C)n1.
What is the InChIKey of 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one?
The InChIKey is OWBGSNQSDBGJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-3-4-8(14)5-9(7)11-6-10(13)12(17)16(2)15-11/h3-6H,14H2,1-2H3.
What are the key properties of 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one?
6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one has a molecular weight of 249.70 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-methylphenyl)-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 168928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).