(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine

C11H13F3N4 — CID 90411276

IUPAC(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3)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)/t6-,7+,8-/m1/s1
InChIKeyUDJSUELPTSKCDX-GJMOJQLCSA-N
MW258.25 g/mol
LogP1.80
Rot. Bonds2

About (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine

(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 90411276) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID90411276
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name(1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3)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)/t6-,7+,8-/m1/s1
InChIKeyUDJSUELPTSKCDX-GJMOJQLCSA-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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Related Compounds

3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexan-1-amine
CID 70328545
(1S,4S)-2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 70813610
2-[6-(Trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 70836543
(1R,2R)-N1-((S)-1-(5-(trifluoromethyl)pyrazin-2-yl)piperidin-3-yl)cyclohexane-1,2-diamine
CID 71233138
(1R,2R)-2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233139
2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 78043228
2-N-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 89686637
N-[(4,4-difluoropiperidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 89782560
6-N-propan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391842
6-N-[(2S)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391845
6-N-[(2R)-butan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391847
6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391849

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine (CID 90411276) is (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine is FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3)cn1.
What is the InChIKey of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is UDJSUELPTSKCDX-GJMOJQLCSA-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)/t6-,7+,8-/m1/s1.
What are the key properties of (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine?
(1S,2R,4R)-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 (1S,2R,4R)-N-[5-(trifluoromethyl)pyrazin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 90411276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).