3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine

C7H9F3N4S — CID 102809304

IUPAC3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine
SMILESNc1nccnc1NCCSC(F)(F)F
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)15-4-3-14-6-5(11)12-1-2-13-6/h1-2H,3-4H2,(H2,11,12)(H,13,14)
InChIKeyGBKFDUNNZVNHQT-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.72
Rot. Bonds4

About 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine

3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine (PubChem CID 102809304) has the molecular formula C7H9F3N4S and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine
PubChem CID102809304
Molecular FormulaC7H9F3N4S
Molecular Weight238.24 g/mol
Exact Mass238.05
IUPAC Name3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine
SMILESNc1nccnc1NCCSC(F)(F)F
InChIInChI=1S/C7H9F3N4S/c8-7(9,10)15-4-3-14-6-5(11)12-1-2-13-6/h1-2H,3-4H2,(H2,11,12)(H,13,14)
InChIKeyGBKFDUNNZVNHQT-UHFFFAOYSA-N
XLogP1.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)pyrazin-2-amine
CID 16768175
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-[(2-aminoethyl)-thio]pyrazine
CID 21298751
2-[2-(2,2,2-Trifluoroethyl)guanidino]-6-(3-aminopropylthio)pyrazine
CID 21298819
N-(trifluoromethyl)pyrazin-2-amine
CID 22046334
N-(fluoromethyl)pyrazin-2-amine
CID 141333103
N-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-2-amine
CID 1282460
N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 29297647
N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 63226687
N-pyrazin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 75508808
6-N-ethyl-2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
CID 79034081
2-N-(3,3,3-trifluoropropyl)pyrazine-2,6-diamine
CID 79034082
N-(4,4,4-trifluorobutyl)pyrazin-2-amine
CID 79040054

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine (CID 102809304) is 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine is Nc1nccnc1NCCSC(F)(F)F.
What is the InChIKey of 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine?
The InChIKey is GBKFDUNNZVNHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4S/c8-7(9,10)15-4-3-14-6-5(11)12-1-2-13-6/h1-2H,3-4H2,(H2,11,12)(H,13,14).
What are the key properties of 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine?
3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine has a molecular weight of 238.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 102809304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).