3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

C12H15F3N4 — CID 134789360

IUPAC3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESFC(F)(F)CN1C2CCC1CN(c1cnccn1)C2
InChIInChI=1S/C12H15F3N4/c13-12(14,15)8-19-9-1-2-10(19)7-18(6-9)11-5-16-3-4-17-11/h3-5,9-10H,1-2,6-8H2
InChIKeyVIEYSJJGRGIUBT-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.69
Rot. Bonds2

About 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane

3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 134789360) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID134789360
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESFC(F)(F)CN1C2CCC1CN(c1cnccn1)C2
InChIInChI=1S/C12H15F3N4/c13-12(14,15)8-19-9-1-2-10(19)7-18(6-9)11-5-16-3-4-17-11/h3-5,9-10H,1-2,6-8H2
InChIKeyVIEYSJJGRGIUBT-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methyl-3-pyrazin-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 44304491
3-(6-Chloropyrazin-2-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791302
1-Pyrazin-2-ylazepane
CID 2867732
2-Methyl-5-pyrazin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18999101
2-(4-Cycloheptylpiperazin-1-yl)pyrazine
CID 75496810
2-[4-(Trifluoromethyl)piperidin-1-yl]pyrazine
CID 126851061
2-(4,4-Difluoropiperidin-1-yl)pyrazine
CID 121199090
2-(3,3-Difluoropyrrolidin-1-yl)pyrazine
CID 122269216
[6-(4,4-Difluoropiperidin-1-yl)pyrazin-2-yl]-trimethylstannane
CID 144446585
2-Azido-6-(4,4-difluoropiperidin-1-yl)pyrazine
CID 152299758
6-(4,4-Difluoropiperidin-1-yl)pyrazin-2-amine
CID 153625137
(3S,5S)-5-fluoro-1-pyrazin-2-yl-piperidin-3-amine
CID 156473355

Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane (CID 134789360) is 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is FC(F)(F)CN1C2CCC1CN(c1cnccn1)C2.
What is the InChIKey of 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is VIEYSJJGRGIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c13-12(14,15)8-19-9-1-2-10(19)7-18(6-9)11-5-16-3-4-17-11/h3-5,9-10H,1-2,6-8H2.
What are the key properties of 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane?
3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 272.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 134789360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).