2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane

C11H15N3 — CID 54569141

IUPAC2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane
SMILESc1cnc(C2CC3CCN2CC3)cn1
InChIInChI=1S/C11H15N3/c1-5-14-6-2-9(1)7-11(14)10-8-12-3-4-13-10/h3-4,8-9,11H,1-2,5-7H2
InChIKeyZVZPTKKRMVWDLB-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds1

About 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane

2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane (PubChem CID 54569141) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane
PubChem CID54569141
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane
SMILESc1cnc(C2CC3CCN2CC3)cn1
InChIInChI=1S/C11H15N3/c1-5-14-6-2-9(1)7-11(14)10-8-12-3-4-13-10/h3-4,8-9,11H,1-2,5-7H2
InChIKeyZVZPTKKRMVWDLB-UHFFFAOYSA-N
XLogP1.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyrazin-2-ylpyrrolidin-2-yl)pyrazine
CID 110269258
2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 110269330
7-pyridin-3-yl-1-azabicyclo[3.2.2]nonane
CID 21094254
4-pyrazin-2-ylpiperidin-1-amine
CID 174931565
benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine
CID 144818057
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
2-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]ethanol
CID 95842061
2-[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]pyrazine
CID 125001478
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrazine
CID 124955860
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane (CID 54569141) is 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane is c1cnc(C2CC3CCN2CC3)cn1.
What is the InChIKey of 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane?
The InChIKey is ZVZPTKKRMVWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-5-14-6-2-9(1)7-11(14)10-8-12-3-4-13-10/h3-4,8-9,11H,1-2,5-7H2.
What are the key properties of 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane?
2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane has a molecular weight of 189.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 54569141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).