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

C12H17N3O — CID 10466019

IUPAC3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCOc1nccnc1C1CN2CCC1CC2
InChIInChI=1S/C12H17N3O/c1-16-12-11(13-4-5-14-12)10-8-15-6-2-9(10)3-7-15/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyOEYQDJCWRCJOFY-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.29
Rot. Bonds2

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

3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 10466019) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID10466019
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCOc1nccnc1C1CN2CCC1CC2
InChIInChI=1S/C12H17N3O/c1-16-12-11(13-4-5-14-12)10-8-15-6-2-9(10)3-7-15/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyOEYQDJCWRCJOFY-UHFFFAOYSA-N
XLogP1.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane (CID 10466019) is 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane is COc1nccnc1C1CN2CCC1CC2.
What is the InChIKey of 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is OEYQDJCWRCJOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-12-11(13-4-5-14-12)10-8-15-6-2-9(10)3-7-15/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 219.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10466019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).