2-ethoxy-3-ethylpyrazine

C8H12N2O — CID 520722

IUPAC2-ethoxy-3-ethylpyrazine
SMILESCCOc1nccnc1CC
InChIInChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKeyTYSHGGVMHVIOMH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.44
Rot. Bonds3

About 2-ethoxy-3-ethylpyrazine

2-ethoxy-3-ethylpyrazine (PubChem CID 520722) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethoxy-3-ethylpyrazine.

Molecular Properties

Compound Name2-ethoxy-3-ethylpyrazine
PubChem CID520722
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethoxy-3-ethylpyrazine
SMILESCCOc1nccnc1CC
InChIInChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKeyTYSHGGVMHVIOMH-UHFFFAOYSA-N
XLogP1.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethylpyrazine?
The IUPAC name of 2-ethoxy-3-ethylpyrazine (CID 520722) is 2-ethoxy-3-ethylpyrazine.
What is the SMILES notation for 2-ethoxy-3-ethylpyrazine?
The canonical SMILES for 2-ethoxy-3-ethylpyrazine is CCOc1nccnc1CC.
What is the InChIKey of 2-ethoxy-3-ethylpyrazine?
The InChIKey is TYSHGGVMHVIOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-8(11-4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-3-ethylpyrazine?
2-ethoxy-3-ethylpyrazine has a molecular weight of 152.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethylpyrazine is sourced from PubChem (CID 520722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).