3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one

C11H10ClN3O — CID 14820803

IUPAC3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(N)nn1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN3O/c1-7-6-10(16)11(13)14-15(7)9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14)
InChIKeySRIGNGNYVXPOLC-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.78
Rot. Bonds1

About 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one

3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one (PubChem CID 14820803) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
PubChem CID14820803
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(N)nn1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN3O/c1-7-6-10(16)11(13)14-15(7)9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14)
InChIKeySRIGNGNYVXPOLC-UHFFFAOYSA-N
XLogP1.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-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 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one (CID 14820803) is 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(N)nn1-c1ccccc1Cl.
What is the InChIKey of 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one?
The InChIKey is SRIGNGNYVXPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-6-10(16)11(13)14-15(7)9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14).
What are the key properties of 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one?
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one has a molecular weight of 235.67 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 14820803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).