3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine

C7H8F3N3S — CID 63380515

IUPAC3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESNCC(Sc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5(3-11)14-6-4-12-1-2-13-6/h1-2,4-5H,3,11H2
InChIKeyDTXRJCDBFUKLBP-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.46
Rot. Bonds3

About 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine

3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine (PubChem CID 63380515) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine
PubChem CID63380515
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine
SMILESNCC(Sc1cnccn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5(3-11)14-6-4-12-1-2-13-6/h1-2,4-5H,3,11H2
InChIKeyDTXRJCDBFUKLBP-UHFFFAOYSA-N
XLogP1.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine (CID 63380515) is 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine is NCC(Sc1cnccn1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine?
The InChIKey is DTXRJCDBFUKLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)5(3-11)14-6-4-12-1-2-13-6/h1-2,4-5H,3,11H2.
What are the key properties of 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine?
3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine has a molecular weight of 223.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-pyrazin-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 63380515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).