About 2,4-dimethyl-5-methylsulfonylpyridazin-3-one
2,4-dimethyl-5-methylsulfonylpyridazin-3-one (PubChem CID 174808636) has the molecular formula C7H10N2O3S
and a molecular weight of 202.23 g/mol. Its IUPAC name is 2,4-dimethyl-5-methylsulfonylpyridazin-3-one.
Molecular Properties
| Compound Name | 2,4-dimethyl-5-methylsulfonylpyridazin-3-one |
|---|
| PubChem CID | 174808636 |
|---|
| Molecular Formula | C7H10N2O3S |
|---|
| Molecular Weight | 202.23 g/mol |
|---|
| Exact Mass | 202.04 |
|---|
| IUPAC Name | 2,4-dimethyl-5-methylsulfonylpyridazin-3-one |
|---|
| SMILES | Cc1c(S(C)(=O)=O)cnn(C)c1=O |
|---|
| InChI | InChI=1S/C7H10N2O3S/c1-5-6(13(3,11)12)4-8-9(2)7(5)10/h4H,1-3H3 |
|---|
| InChIKey | FRQSBSJUZAPQRS-UHFFFAOYSA-N |
|---|
| XLogP | -0.51 |
|---|
| TPSA | 69.03 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.23 |
| LogP ≤ 5 | -0.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 2,4-dimethyl-5-methylsulfonylpyridazin-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-dimethyl-5-methylsulfonylpyridazin-3-one?
The IUPAC name of 2,4-dimethyl-5-methylsulfonylpyridazin-3-one (CID 174808636) is 2,4-dimethyl-5-methylsulfonylpyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-5-methylsulfonylpyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-5-methylsulfonylpyridazin-3-one is Cc1c(S(C)(=O)=O)cnn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-5-methylsulfonylpyridazin-3-one?
The InChIKey is FRQSBSJUZAPQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-5-6(13(3,11)12)4-8-9(2)7(5)10/h4H,1-3H3.
What are the key properties of 2,4-dimethyl-5-methylsulfonylpyridazin-3-one?
2,4-dimethyl-5-methylsulfonylpyridazin-3-one has a molecular weight of 202.23 g/mol, XLogP of -0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-methylsulfonylpyridazin-3-one is sourced from PubChem (CID 174808636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).