[6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine

C5H5F3N4S — CID 75406402

IUPAC[6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine
SMILESNNc1ccc(SC(F)(F)F)nn1
InChIInChI=1S/C5H5F3N4S/c6-5(7,8)13-4-2-1-3(10-9)11-12-4/h1-2H,9H2,(H,10,11)
InChIKeyOEKIKLMCZNQFLU-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.37
Rot. Bonds2

About [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine

[6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine (PubChem CID 75406402) has the molecular formula C5H5F3N4S and a molecular weight of 210.18 g/mol. Its IUPAC name is [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine.

Molecular Properties

Compound Name[6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine
PubChem CID75406402
Molecular FormulaC5H5F3N4S
Molecular Weight210.18 g/mol
Exact Mass210.02
IUPAC Name[6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine
SMILESNNc1ccc(SC(F)(F)F)nn1
InChIInChI=1S/C5H5F3N4S/c6-5(7,8)13-4-2-1-3(10-9)11-12-4/h1-2H,9H2,(H,10,11)
InChIKeyOEKIKLMCZNQFLU-UHFFFAOYSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine?
The IUPAC name of [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine (CID 75406402) is [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine.
What is the SMILES notation for [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine?
The canonical SMILES for [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine is NNc1ccc(SC(F)(F)F)nn1.
What is the InChIKey of [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine?
The InChIKey is OEKIKLMCZNQFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4S/c6-5(7,8)13-4-2-1-3(10-9)11-12-4/h1-2H,9H2,(H,10,11).
What are the key properties of [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine?
[6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine has a molecular weight of 210.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethylsulfanyl)pyridazin-3-yl]hydrazine is sourced from PubChem (CID 75406402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).