6-chloro-2,5-dimethylpyridazin-3-one

C6H7ClN2O — CID 58109329

IUPAC6-chloro-2,5-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(C)nc1Cl
InChIInChI=1S/C6H7ClN2O/c1-4-3-5(10)9(2)8-6(4)7/h3H,1-2H3
InChIKeyROTULOMPEFVIJR-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.74
Rot. Bonds

About 6-chloro-2,5-dimethylpyridazin-3-one

6-chloro-2,5-dimethylpyridazin-3-one (PubChem CID 58109329) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 6-chloro-2,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2,5-dimethylpyridazin-3-one
PubChem CID58109329
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name6-chloro-2,5-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(C)nc1Cl
InChIInChI=1S/C6H7ClN2O/c1-4-3-5(10)9(2)8-6(4)7/h3H,1-2H3
InChIKeyROTULOMPEFVIJR-UHFFFAOYSA-N
XLogP0.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2,5-dimethylpyridazin-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-chloro-2,5-dimethylpyridazin-3-one?
The IUPAC name of 6-chloro-2,5-dimethylpyridazin-3-one (CID 58109329) is 6-chloro-2,5-dimethylpyridazin-3-one.
What is the SMILES notation for 6-chloro-2,5-dimethylpyridazin-3-one?
The canonical SMILES for 6-chloro-2,5-dimethylpyridazin-3-one is Cc1cc(=O)n(C)nc1Cl.
What is the InChIKey of 6-chloro-2,5-dimethylpyridazin-3-one?
The InChIKey is ROTULOMPEFVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-3-5(10)9(2)8-6(4)7/h3H,1-2H3.
What are the key properties of 6-chloro-2,5-dimethylpyridazin-3-one?
6-chloro-2,5-dimethylpyridazin-3-one has a molecular weight of 158.59 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethylpyridazin-3-one is sourced from PubChem (CID 58109329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).