(1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine

C7H8F3N3 — CID 55270342

IUPAC(1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1cnccn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)3-5(11)6-4-12-1-2-13-6/h1-2,4-5H,3,11H2/t5-/m0/s1
InChIKeyTTWFUJUERLQREI-YFKPBYRVSA-N
MW191.16 g/mol
LogP1.43
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine

(1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine (PubChem CID 55270342) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine
PubChem CID55270342
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name(1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1cnccn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)3-5(11)6-4-12-1-2-13-6/h1-2,4-5H,3,11H2/t5-/m0/s1
InChIKeyTTWFUJUERLQREI-YFKPBYRVSA-N
XLogP1.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine (CID 55270342) is (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine is N[C@@H](CC(F)(F)F)c1cnccn1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is TTWFUJUERLQREI-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)3-5(11)6-4-12-1-2-13-6/h1-2,4-5H,3,11H2/t5-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine?
(1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 191.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 55270342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).