3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane

C11H14BrN3 — CID 10221017

IUPAC3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESBrc1cncc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H14BrN3/c12-11-6-13-5-10(14-11)9-7-15-3-1-8(9)2-4-15/h5-6,8-9H,1-4,7H2
InChIKeyVOXBFVRMGULKOY-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.05
Rot. Bonds1

About 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane

3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 10221017) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID10221017
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESBrc1cncc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H14BrN3/c12-11-6-13-5-10(14-11)9-7-15-3-1-8(9)2-4-15/h5-6,8-9H,1-4,7H2
InChIKeyVOXBFVRMGULKOY-UHFFFAOYSA-N
XLogP2.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane (CID 10221017) is 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane is Brc1cncc(C2CN3CCC2CC3)n1.
What is the InChIKey of 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is VOXBFVRMGULKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-11-6-13-5-10(14-11)9-7-15-3-1-8(9)2-4-15/h5-6,8-9H,1-4,7H2.
What are the key properties of 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 268.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromopyrazin-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10221017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).