(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane

C11H12F3N3O — CID 135305303

IUPAC(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1cnc(O[C@@H]2C[C@@H]3CN[C@H]2C3)cn1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-4-17-10(5-16-9)18-8-2-6-1-7(8)15-3-6/h4-8,15H,1-3H2/t6-,7+,8-/m1/s1
InChIKeySYXNLIYXEGIGPG-GJMOJQLCSA-N
MW259.23 g/mol
LogP1.62
Rot. Bonds2

About (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane

(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane (PubChem CID 135305303) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
PubChem CID135305303
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1cnc(O[C@@H]2C[C@@H]3CN[C@H]2C3)cn1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)9-4-17-10(5-16-9)18-8-2-6-1-7(8)15-3-6/h4-8,15H,1-3H2/t6-,7+,8-/m1/s1
InChIKeySYXNLIYXEGIGPG-GJMOJQLCSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane (CID 135305303) is (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane is FC(F)(F)c1cnc(O[C@@H]2C[C@@H]3CN[C@H]2C3)cn1.
What is the InChIKey of (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The InChIKey is SYXNLIYXEGIGPG-GJMOJQLCSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)9-4-17-10(5-16-9)18-8-2-6-1-7(8)15-3-6/h4-8,15H,1-3H2/t6-,7+,8-/m1/s1.
What are the key properties of (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
(1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane has a molecular weight of 259.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 135305303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).