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

C11H14ClN3 — CID 10036553

IUPAC3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESClc1nccnc1C1CN2CCC1CC2
InChIInChI=1S/C11H14ClN3/c12-11-10(13-3-4-14-11)9-7-15-5-1-8(9)2-6-15/h3-4,8-9H,1-2,5-7H2
InChIKeyLDYJZDYHQCHYAH-UHFFFAOYSA-N
MW223.71 g/mol
LogP1.94
Rot. Bonds1

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

3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 10036553) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID10036553
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESClc1nccnc1C1CN2CCC1CC2
InChIInChI=1S/C11H14ClN3/c12-11-10(13-3-4-14-11)9-7-15-5-1-8(9)2-6-15/h3-4,8-9H,1-2,5-7H2
InChIKeyLDYJZDYHQCHYAH-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane (CID 10036553) is 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane is Clc1nccnc1C1CN2CCC1CC2.
What is the InChIKey of 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is LDYJZDYHQCHYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c12-11-10(13-3-4-14-11)9-7-15-5-1-8(9)2-6-15/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 223.71 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropyrazin-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10036553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).