3-(methylsulfonylmethyl)pyridazine

C6H8N2O2S — CID 66972383

IUPAC3-(methylsulfonylmethyl)pyridazine
SMILESCS(=O)(=O)Cc1cccnn1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)5-6-3-2-4-7-8-6/h2-4H,5H2,1H3
InChIKeyRDIWFJBJDGOQCJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.02
Rot. Bonds2

About 3-(methylsulfonylmethyl)pyridazine

3-(methylsulfonylmethyl)pyridazine (PubChem CID 66972383) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)pyridazine.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)pyridazine
PubChem CID66972383
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name3-(methylsulfonylmethyl)pyridazine
SMILESCS(=O)(=O)Cc1cccnn1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)5-6-3-2-4-7-8-6/h2-4H,5H2,1H3
InChIKeyRDIWFJBJDGOQCJ-UHFFFAOYSA-N
XLogP0.02
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)pyridazine?
The IUPAC name of 3-(methylsulfonylmethyl)pyridazine (CID 66972383) is 3-(methylsulfonylmethyl)pyridazine.
What is the SMILES notation for 3-(methylsulfonylmethyl)pyridazine?
The canonical SMILES for 3-(methylsulfonylmethyl)pyridazine is CS(=O)(=O)Cc1cccnn1.
What is the InChIKey of 3-(methylsulfonylmethyl)pyridazine?
The InChIKey is RDIWFJBJDGOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-11(9,10)5-6-3-2-4-7-8-6/h2-4H,5H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)pyridazine?
3-(methylsulfonylmethyl)pyridazine has a molecular weight of 172.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)pyridazine is sourced from PubChem (CID 66972383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).