3-(trideuteriomethylsulfanyl)pyridazine

C5H6N2S — CID 175705098

IUPAC3-(trideuteriomethylsulfanyl)pyridazine
SMILES[2H]C([2H])([2H])Sc1cccnn1
InChIInChI=1S/C5H6N2S/c1-8-5-3-2-4-6-7-5/h2-4H,1H3/i1D3
InChIKeyMXMJHNGIWGMNIG-FIBGUPNXSA-N
MW129.20 g/mol
LogP1.20
Rot. Bonds2

About 3-(trideuteriomethylsulfanyl)pyridazine

3-(trideuteriomethylsulfanyl)pyridazine (PubChem CID 175705098) has the molecular formula C5H6N2S and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(trideuteriomethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(trideuteriomethylsulfanyl)pyridazine
PubChem CID175705098
Molecular FormulaC5H6N2S
Molecular Weight129.20 g/mol
Exact Mass129.04
IUPAC Name3-(trideuteriomethylsulfanyl)pyridazine
SMILES[2H]C([2H])([2H])Sc1cccnn1
InChIInChI=1S/C5H6N2S/c1-8-5-3-2-4-6-7-5/h2-4H,1H3/i1D3
InChIKeyMXMJHNGIWGMNIG-FIBGUPNXSA-N
XLogP1.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(trideuteriomethylsulfanyl)pyridazine 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 3-(trideuteriomethylsulfanyl)pyridazine?
The IUPAC name of 3-(trideuteriomethylsulfanyl)pyridazine (CID 175705098) is 3-(trideuteriomethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(trideuteriomethylsulfanyl)pyridazine?
The canonical SMILES for 3-(trideuteriomethylsulfanyl)pyridazine is [2H]C([2H])([2H])Sc1cccnn1.
What is the InChIKey of 3-(trideuteriomethylsulfanyl)pyridazine?
The InChIKey is MXMJHNGIWGMNIG-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H6N2S/c1-8-5-3-2-4-6-7-5/h2-4H,1H3/i1D3.
What are the key properties of 3-(trideuteriomethylsulfanyl)pyridazine?
3-(trideuteriomethylsulfanyl)pyridazine has a molecular weight of 129.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethylsulfanyl)pyridazine is sourced from PubChem (CID 175705098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).