[3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride

C5H6ClF3N4S — CID 121226030

IUPAC[3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nccnc1SC(F)(F)F
InChIInChI=1S/C5H5F3N4S.ClH/c6-5(7,8)13-4-3(12-9)10-1-2-11-4;/h1-2H,9H2,(H,10,12);1H
InChIKeyJSUOKLHDDKLVDV-UHFFFAOYSA-N
MW246.65 g/mol
LogP1.80
Rot. Bonds2

About [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride

[3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride (PubChem CID 121226030) has the molecular formula C5H6ClF3N4S and a molecular weight of 246.65 g/mol. Its IUPAC name is [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride
PubChem CID121226030
Molecular FormulaC5H6ClF3N4S
Molecular Weight246.65 g/mol
Exact Mass246.00
IUPAC Name[3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nccnc1SC(F)(F)F
InChIInChI=1S/C5H5F3N4S.ClH/c6-5(7,8)13-4-3(12-9)10-1-2-11-4;/h1-2H,9H2,(H,10,12);1H
InChIKeyJSUOKLHDDKLVDV-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 51.80
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 [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride?
The IUPAC name of [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride (CID 121226030) is [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride is Cl.NNc1nccnc1SC(F)(F)F.
What is the InChIKey of [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride?
The InChIKey is JSUOKLHDDKLVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4S.ClH/c6-5(7,8)13-4-3(12-9)10-1-2-11-4;/h1-2H,9H2,(H,10,12);1H.
What are the key properties of [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride?
[3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride has a molecular weight of 246.65 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethylsulfanyl)pyrazin-2-yl]hydrazine;hydrochloride is sourced from PubChem (CID 121226030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).