2,4,6-trimethylpyridazin-3-one

C7H10N2O — CID 58694571

IUPAC2,4,6-trimethylpyridazin-3-one
SMILESCc1cc(C)c(=O)n(C)n1
InChIInChI=1S/C7H10N2O/c1-5-4-6(2)8-9(3)7(5)10/h4H,1-3H3
InChIKeyIYIVVHUTENHLAL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.40
Rot. Bonds

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

2,4,6-trimethylpyridazin-3-one (PubChem CID 58694571) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,4,6-trimethylpyridazin-3-one.

Molecular Properties

Compound Name2,4,6-trimethylpyridazin-3-one
PubChem CID58694571
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,4,6-trimethylpyridazin-3-one
SMILESCc1cc(C)c(=O)n(C)n1
InChIInChI=1S/C7H10N2O/c1-5-4-6(2)8-9(3)7(5)10/h4H,1-3H3
InChIKeyIYIVVHUTENHLAL-UHFFFAOYSA-N
XLogP0.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 2,4,6-trimethylpyridazin-3-one?
The IUPAC name of 2,4,6-trimethylpyridazin-3-one (CID 58694571) is 2,4,6-trimethylpyridazin-3-one.
What is the SMILES notation for 2,4,6-trimethylpyridazin-3-one?
The canonical SMILES for 2,4,6-trimethylpyridazin-3-one is Cc1cc(C)c(=O)n(C)n1.
What is the InChIKey of 2,4,6-trimethylpyridazin-3-one?
The InChIKey is IYIVVHUTENHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-4-6(2)8-9(3)7(5)10/h4H,1-3H3.
What are the key properties of 2,4,6-trimethylpyridazin-3-one?
2,4,6-trimethylpyridazin-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridazin-3-one is sourced from PubChem (CID 58694571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).