5-chloro-2,4,6-trimethylpyridazin-3-one

C7H9ClN2O — CID 89488103

IUPAC5-chloro-2,4,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(C)c1Cl
InChIInChI=1S/C7H9ClN2O/c1-4-6(8)5(2)9-10(3)7(4)11/h1-3H3
InChIKeyJCNNVRJXJOSPOO-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.05
Rot. Bonds

About 5-chloro-2,4,6-trimethylpyridazin-3-one

5-chloro-2,4,6-trimethylpyridazin-3-one (PubChem CID 89488103) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 5-chloro-2,4,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2,4,6-trimethylpyridazin-3-one
PubChem CID89488103
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name5-chloro-2,4,6-trimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)c(C)c1Cl
InChIInChI=1S/C7H9ClN2O/c1-4-6(8)5(2)9-10(3)7(4)11/h1-3H3
InChIKeyJCNNVRJXJOSPOO-UHFFFAOYSA-N
XLogP1.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2,4,6-trimethylpyridazin-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 5-chloro-2,4,6-trimethylpyridazin-3-one?
The IUPAC name of 5-chloro-2,4,6-trimethylpyridazin-3-one (CID 89488103) is 5-chloro-2,4,6-trimethylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2,4,6-trimethylpyridazin-3-one?
The canonical SMILES for 5-chloro-2,4,6-trimethylpyridazin-3-one is Cc1nn(C)c(=O)c(C)c1Cl.
What is the InChIKey of 5-chloro-2,4,6-trimethylpyridazin-3-one?
The InChIKey is JCNNVRJXJOSPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-6(8)5(2)9-10(3)7(4)11/h1-3H3.
What are the key properties of 5-chloro-2,4,6-trimethylpyridazin-3-one?
5-chloro-2,4,6-trimethylpyridazin-3-one has a molecular weight of 172.61 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4,6-trimethylpyridazin-3-one is sourced from PubChem (CID 89488103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).