2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane

C10H11F3N4 — CID 70836543

IUPAC2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1cncc(N2CC3CC2CN3)n1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)8-3-14-4-9(16-8)17-5-6-1-7(17)2-15-6/h3-4,6-7,15H,1-2,5H2
InChIKeyKYQAAVFOVPTUEB-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.05
Rot. Bonds1

About 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane

2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 70836543) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID70836543
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1cncc(N2CC3CC2CN3)n1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)8-3-14-4-9(16-8)17-5-6-1-7(17)2-15-6/h3-4,6-7,15H,1-2,5H2
InChIKeyKYQAAVFOVPTUEB-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazin-2-amine
CID 164629814
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695
2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrazine
CID 46837492
4-(4-Trifluoromethyl-1-(2-(pyrrolidin-1-yl)ethyl)-1H-imidazol-2-yl)piperidine
CID 67113455
(1S,4S)-5-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68386796
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072
(1S,4S)-2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 70813610
(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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane (CID 70836543) is 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane is FC(F)(F)c1cncc(N2CC3CC2CN3)n1.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is KYQAAVFOVPTUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)8-3-14-4-9(16-8)17-5-6-1-7(17)2-15-6/h3-4,6-7,15H,1-2,5H2.
What are the key properties of 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 244.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 70836543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).