1-(5-ethoxy-2H-pyrazin-1-yl)ethanone

C8H12N2O2 — CID 118169220

IUPAC1-(5-ethoxy-2H-pyrazin-1-yl)ethanone
SMILESCCOC1=CN(C(C)=O)CC=N1
InChIInChI=1S/C8H12N2O2/c1-3-12-8-6-10(7(2)11)5-4-9-8/h4,6H,3,5H2,1-2H3
InChIKeyJFGAOPVCMRZGEN-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.75
Rot. Bonds2

About 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone

1-(5-ethoxy-2H-pyrazin-1-yl)ethanone (PubChem CID 118169220) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-2H-pyrazin-1-yl)ethanone
PubChem CID118169220
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(5-ethoxy-2H-pyrazin-1-yl)ethanone
SMILESCCOC1=CN(C(C)=O)CC=N1
InChIInChI=1S/C8H12N2O2/c1-3-12-8-6-10(7(2)11)5-4-9-8/h4,6H,3,5H2,1-2H3
InChIKeyJFGAOPVCMRZGEN-UHFFFAOYSA-N
XLogP0.75
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone?
The IUPAC name of 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone (CID 118169220) is 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone?
The canonical SMILES for 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone is CCOC1=CN(C(C)=O)CC=N1.
What is the InChIKey of 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone?
The InChIKey is JFGAOPVCMRZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8-6-10(7(2)11)5-4-9-8/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone?
1-(5-ethoxy-2H-pyrazin-1-yl)ethanone has a molecular weight of 168.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2H-pyrazin-1-yl)ethanone is sourced from PubChem (CID 118169220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).