(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane

C12H14F3N3 — CID 10220752

IUPAC(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane
SMILESFC(F)(F)c1cncc([C@H]2CN3CCC2CC3)n1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)11-6-16-5-10(17-11)9-7-18-3-1-8(9)2-4-18/h5-6,8-9H,1-4,7H2/t9-/m0/s1
InChIKeyWRDQQKCHWLHMQJ-VIFPVBQESA-N
MW257.26 g/mol
LogP2.30
Rot. Bonds1

About (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane

(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane (PubChem CID 10220752) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane
PubChem CID10220752
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane
SMILESFC(F)(F)c1cncc([C@H]2CN3CCC2CC3)n1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)11-6-16-5-10(17-11)9-7-18-3-1-8(9)2-4-18/h5-6,8-9H,1-4,7H2/t9-/m0/s1
InChIKeyWRDQQKCHWLHMQJ-VIFPVBQESA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane
CID 18658625
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364808
3-(1H-1,2,4-triazol-5-yl)-1-azabicyclo[2.2.2]octane
CID 67759981
3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 10036553
3-(3-methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane
CID 15669963
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
CID 19018574
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167783420
N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine
CID 138649119
1-benzyl-2-ethylpiperidine-3,4-diol;ethane;N-methyl-6-(trifluoromethyl)pyrazin-2-amine
CID 178007680

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane (CID 10220752) is (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane is FC(F)(F)c1cncc([C@H]2CN3CCC2CC3)n1.
What is the InChIKey of (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane?
The InChIKey is WRDQQKCHWLHMQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14F3N3/c13-12(14,15)11-6-16-5-10(17-11)9-7-18-3-1-8(9)2-4-18/h5-6,8-9H,1-4,7H2/t9-/m0/s1.
What are the key properties of (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane?
(3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane has a molecular weight of 257.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-(trifluoromethyl)pyrazin-2-yl]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10220752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).