4-methyl-3-methylsulfonylpyridazine

C6H8N2O2S — CID 70421212

IUPAC4-methyl-3-methylsulfonylpyridazine
SMILESCc1ccnnc1S(C)(=O)=O
InChIInChI=1S/C6H8N2O2S/c1-5-3-4-7-8-6(5)11(2,9)10/h3-4H,1-2H3
InChIKeyBPRYVSSEJQQLSB-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.19
Rot. Bonds1

About 4-methyl-3-methylsulfonylpyridazine

4-methyl-3-methylsulfonylpyridazine (PubChem CID 70421212) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-methyl-3-methylsulfonylpyridazine.

Molecular Properties

Compound Name4-methyl-3-methylsulfonylpyridazine
PubChem CID70421212
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-methyl-3-methylsulfonylpyridazine
SMILESCc1ccnnc1S(C)(=O)=O
InChIInChI=1S/C6H8N2O2S/c1-5-3-4-7-8-6(5)11(2,9)10/h3-4H,1-2H3
InChIKeyBPRYVSSEJQQLSB-UHFFFAOYSA-N
XLogP0.19
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-methylsulfonylpyridazine 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 4-methyl-3-methylsulfonylpyridazine?
The IUPAC name of 4-methyl-3-methylsulfonylpyridazine (CID 70421212) is 4-methyl-3-methylsulfonylpyridazine.
What is the SMILES notation for 4-methyl-3-methylsulfonylpyridazine?
The canonical SMILES for 4-methyl-3-methylsulfonylpyridazine is Cc1ccnnc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-3-methylsulfonylpyridazine?
The InChIKey is BPRYVSSEJQQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-5-3-4-7-8-6(5)11(2,9)10/h3-4H,1-2H3.
What are the key properties of 4-methyl-3-methylsulfonylpyridazine?
4-methyl-3-methylsulfonylpyridazine has a molecular weight of 172.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfonylpyridazine is sourced from PubChem (CID 70421212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).