1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone

C8H14N2O2 — CID 134394400

IUPAC1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone
SMILESCCOC1=NCCN(C(C)=O)C1
InChIInChI=1S/C8H14N2O2/c1-3-12-8-6-10(7(2)11)5-4-9-8/h3-6H2,1-2H3
InChIKeyNJMHVTRQEGXUOP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.28
Rot. Bonds1

About 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone

1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone (PubChem CID 134394400) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone
PubChem CID134394400
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone
SMILESCCOC1=NCCN(C(C)=O)C1
InChIInChI=1S/C8H14N2O2/c1-3-12-8-6-10(7(2)11)5-4-9-8/h3-6H2,1-2H3
InChIKeyNJMHVTRQEGXUOP-UHFFFAOYSA-N
XLogP0.28
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
The IUPAC name of 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone (CID 134394400) is 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone.
What is the SMILES notation for 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
The canonical SMILES for 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone is CCOC1=NCCN(C(C)=O)C1.
What is the InChIKey of 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
The InChIKey is NJMHVTRQEGXUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-12-8-6-10(7(2)11)5-4-9-8/h3-6H2,1-2H3.
What are the key properties of 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone has a molecular weight of 170.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)ethanone is sourced from PubChem (CID 134394400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).