3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane

C12H14F3N3O — CID 118939897

IUPAC3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
SMILESCC1NC2CC1CC2Oc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3N3O/c1-6-7-2-8(18-6)9(3-7)19-11-5-16-10(4-17-11)12(13,14)15/h4-9,18H,2-3H2,1H3
InChIKeyRUJLGPLPCAJMCC-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.01
Rot. Bonds2

About 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane

3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane (PubChem CID 118939897) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
PubChem CID118939897
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
SMILESCC1NC2CC1CC2Oc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3N3O/c1-6-7-2-8(18-6)9(3-7)19-11-5-16-10(4-17-11)12(13,14)15/h4-9,18H,2-3H2,1H3
InChIKeyRUJLGPLPCAJMCC-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane (CID 118939897) is 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane is CC1NC2CC1CC2Oc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The InChIKey is RUJLGPLPCAJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-6-7-2-8(18-6)9(3-7)19-11-5-16-10(4-17-11)12(13,14)15/h4-9,18H,2-3H2,1H3.
What are the key properties of 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane has a molecular weight of 273.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 118939897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).