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

C12H14F3N3O — CID 139504058

IUPAC2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2
InChIInChI=1S/C12H14F3N3O/c1-18-6-7-2-8(18)9(3-7)19-11-5-16-10(4-17-11)12(13,14)15/h4-5,7-9H,2-3,6H2,1H3
InChIKeyIIOKXRDEXAFSAV-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.97
Rot. Bonds2

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

2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane (PubChem CID 139504058) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
PubChem CID139504058
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2
InChIInChI=1S/C12H14F3N3O/c1-18-6-7-2-8(18)9(3-7)19-11-5-16-10(4-17-11)12(13,14)15/h4-5,7-9H,2-3,6H2,1H3
InChIKeyIIOKXRDEXAFSAV-UHFFFAOYSA-N
XLogP1.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane (CID 139504058) is 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane is CN1CC2CC(Oc3cnc(C(F)(F)F)cn3)C1C2.
What is the InChIKey of 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
The InChIKey is IIOKXRDEXAFSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-18-6-7-2-8(18)9(3-7)19-11-5-16-10(4-17-11)12(13,14)15/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane?
2-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 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 139504058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).