2-ethylpyrazine

C6H8N2 — CID 26331

IUPAC2-ethylpyrazine
SMILESCCc1cnccn1
InChIInChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKeyKVFIJIWMDBAGDP-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds1

About 2-ethylpyrazine

2-ethylpyrazine (PubChem CID 26331) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-ethylpyrazine.

Molecular Properties

Compound Name2-ethylpyrazine
PubChem CID26331
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-ethylpyrazine
SMILESCCc1cnccn1
InChIInChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKeyKVFIJIWMDBAGDP-UHFFFAOYSA-N
XLogP1.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrazine?
The IUPAC name of 2-ethylpyrazine (CID 26331) is 2-ethylpyrazine.
What is the SMILES notation for 2-ethylpyrazine?
The canonical SMILES for 2-ethylpyrazine is CCc1cnccn1.
What is the InChIKey of 2-ethylpyrazine?
The InChIKey is KVFIJIWMDBAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3.
What are the key properties of 2-ethylpyrazine?
2-ethylpyrazine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrazine is sourced from PubChem (CID 26331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).