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

C9H16N2O2 — CID 126501853

IUPAC1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone
SMILESCCOC1=NCCN(C(C)=O)C1C
InChIInChI=1S/C9H16N2O2/c1-4-13-9-7(2)11(8(3)12)6-5-10-9/h7H,4-6H2,1-3H3
InChIKeyKANRRYHAIJWDAR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.67
Rot. Bonds1

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

1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone (PubChem CID 126501853) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone
PubChem CID126501853
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone
SMILESCCOC1=NCCN(C(C)=O)C1C
InChIInChI=1S/C9H16N2O2/c1-4-13-9-7(2)11(8(3)12)6-5-10-9/h7H,4-6H2,1-3H3
InChIKeyKANRRYHAIJWDAR-UHFFFAOYSA-N
XLogP0.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-ethoxy-5-methyl-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-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
The IUPAC name of 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone (CID 126501853) is 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone.
What is the SMILES notation for 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
The canonical SMILES for 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone is CCOC1=NCCN(C(C)=O)C1C.
What is the InChIKey of 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
The InChIKey is KANRRYHAIJWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-13-9-7(2)11(8(3)12)6-5-10-9/h7H,4-6H2,1-3H3.
What are the key properties of 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone?
1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone has a molecular weight of 184.24 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazin-4-yl)ethanone is sourced from PubChem (CID 126501853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).