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

C12H17N3 — CID 15750155

IUPAC3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1nccnc1C1CN2CCC1CC2
InChIInChI=1S/C12H17N3/c1-9-12(14-5-4-13-9)11-8-15-6-2-10(11)3-7-15/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyROMFTAFFSMTCNH-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.59
Rot. Bonds1

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

3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 15750155) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID15750155
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1nccnc1C1CN2CCC1CC2
InChIInChI=1S/C12H17N3/c1-9-12(14-5-4-13-9)11-8-15-6-2-10(11)3-7-15/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyROMFTAFFSMTCNH-UHFFFAOYSA-N
XLogP1.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane (CID 15750155) is 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane is Cc1nccnc1C1CN2CCC1CC2.
What is the InChIKey of 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is ROMFTAFFSMTCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-12(14-5-4-13-9)11-8-15-6-2-10(11)3-7-15/h4-5,10-11H,2-3,6-8H2,1H3.
What are the key properties of 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 203.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15750155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).