N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine

C11H13F3N4 — CID 90412357

IUPACN-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)c1cnc(NC2CC3CCC2N3)cn1
InChIInChI=1S/C11H13F3N4/c12-11(13,14)9-4-16-10(5-15-9)18-8-3-6-1-2-7(8)17-6/h4-8,17H,1-3H2,(H,16,18)
InChIKeyUDJSUELPTSKCDX-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.80
Rot. Bonds2

About N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine

N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 90412357) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID90412357
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC NameN-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)c1cnc(NC2CC3CCC2N3)cn1
InChIInChI=1S/C11H13F3N4/c12-11(13,14)9-4-16-10(5-15-9)18-8-3-6-1-2-7(8)17-6/h4-8,17H,1-3H2,(H,16,18)
InChIKeyUDJSUELPTSKCDX-UHFFFAOYSA-N
XLogP1.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine (CID 90412357) is N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine is FC(F)(F)c1cnc(NC2CC3CCC2N3)cn1.
What is the InChIKey of N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is UDJSUELPTSKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c12-11(13,14)9-4-16-10(5-15-9)18-8-3-6-1-2-7(8)17-6/h4-8,17H,1-3H2,(H,16,18).
What are the key properties of N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 258.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 90412357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).