N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C8H8F3N5S — CID 103894466

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)SCCNc1nccn2cnnc12
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)17-4-2-13-6-7-15-14-5-16(7)3-1-12-6/h1,3,5H,2,4H2,(H,12,13)
InChIKeyFYVXEGZUMZDDEH-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103894466) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103894466
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)SCCNc1nccn2cnnc12
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)17-4-2-13-6-7-15-14-5-16(7)3-1-12-6/h1,3,5H,2,4H2,(H,12,13)
InChIKeyFYVXEGZUMZDDEH-UHFFFAOYSA-N
XLogP1.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103894466) is N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is FC(F)(F)SCCNc1nccn2cnnc12.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is FYVXEGZUMZDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c9-8(10,11)17-4-2-13-6-7-15-14-5-16(7)3-1-12-6/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 263.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103894466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).