5-(chloromethyl)-2-methylpyridazin-3-one

C6H7ClN2O — CID 171833340

IUPAC5-(chloromethyl)-2-methylpyridazin-3-one
SMILESCn1ncc(CCl)cc1=O
InChIInChI=1S/C6H7ClN2O/c1-9-6(10)2-5(3-7)4-8-9/h2,4H,3H2,1H3
InChIKeyAYPZEMYHZZYATJ-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.52
Rot. Bonds1

About 5-(chloromethyl)-2-methylpyridazin-3-one

5-(chloromethyl)-2-methylpyridazin-3-one (PubChem CID 171833340) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(chloromethyl)-2-methylpyridazin-3-one
PubChem CID171833340
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name5-(chloromethyl)-2-methylpyridazin-3-one
SMILESCn1ncc(CCl)cc1=O
InChIInChI=1S/C6H7ClN2O/c1-9-6(10)2-5(3-7)4-8-9/h2,4H,3H2,1H3
InChIKeyAYPZEMYHZZYATJ-UHFFFAOYSA-N
XLogP0.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-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

Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
5-Chloro-2-methylpyridazin-3(2H)-one
CID 12910144
5-[(Z)-2-chloroethenyl]-2-methylpyridazin-3-one
CID 102397732
6-Chloro-2,5-dimethylpyridazin-3(2H)-one
CID 58109329
4-Chloro-2,5-dimethylpyridazin-3-one
CID 59803331
5-chloro-2-ethylpyridazin-3(2H)-one
CID 66864934
2,5-Dimethylpyridazin-3-one;ethane
CID 144053992
5-(Aminomethyl)-6-chloro-2-methylpyridazin-3-one
CID 146246650
6-Chloro-2-ethyl-5-methylpyridazin-3-one
CID 165172488
5-Chloro-2-(chloromethyl)pyridazin-3-one
CID 172106458
5-Chloro-2-(1-chloroethyl)pyridazin-3-one
CID 172106976
5-[(E)-2-chloroethenyl]-2-methylpyridazin-3-one
CID 102397733

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methylpyridazin-3-one?
The IUPAC name of 5-(chloromethyl)-2-methylpyridazin-3-one (CID 171833340) is 5-(chloromethyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(chloromethyl)-2-methylpyridazin-3-one?
The canonical SMILES for 5-(chloromethyl)-2-methylpyridazin-3-one is Cn1ncc(CCl)cc1=O.
What is the InChIKey of 5-(chloromethyl)-2-methylpyridazin-3-one?
The InChIKey is AYPZEMYHZZYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-9-6(10)2-5(3-7)4-8-9/h2,4H,3H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methylpyridazin-3-one?
5-(chloromethyl)-2-methylpyridazin-3-one has a molecular weight of 158.59 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 171833340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).