5-chloro-4-methyl-1H-pyridazin-6-one

C5H5ClN2O — CID 59547189

IUPAC5-chloro-4-methyl-1H-pyridazin-6-one
SMILESCc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H5ClN2O/c1-3-2-7-8-5(9)4(3)6/h2H,1H3,(H,8,9)
InChIKeyXIMMODMUMQZVGP-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.73
Rot. Bonds

About 5-chloro-4-methyl-1H-pyridazin-6-one

5-chloro-4-methyl-1H-pyridazin-6-one (PubChem CID 59547189) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 5-chloro-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-methyl-1H-pyridazin-6-one
PubChem CID59547189
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name5-chloro-4-methyl-1H-pyridazin-6-one
SMILESCc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C5H5ClN2O/c1-3-2-7-8-5(9)4(3)6/h2H,1H3,(H,8,9)
InChIKeyXIMMODMUMQZVGP-UHFFFAOYSA-N
XLogP0.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-methyl-1H-pyridazin-6-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 5-chloro-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-methyl-1H-pyridazin-6-one (CID 59547189) is 5-chloro-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-methyl-1H-pyridazin-6-one is Cc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-1H-pyridazin-6-one?
The InChIKey is XIMMODMUMQZVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-3-2-7-8-5(9)4(3)6/h2H,1H3,(H,8,9).
What are the key properties of 5-chloro-4-methyl-1H-pyridazin-6-one?
5-chloro-4-methyl-1H-pyridazin-6-one has a molecular weight of 144.56 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 59547189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).