2-ethyl-3,5,6-trimethylpyrazine

C9H14N2 — CID 28518

IUPAC2-ethyl-3,5,6-trimethylpyrazine
SMILESCCc1nc(C)c(C)nc1C
InChIInChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
InChIKeyFPOLJKZKOKXIFE-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.96
Rot. Bonds1

About 2-ethyl-3,5,6-trimethylpyrazine

2-ethyl-3,5,6-trimethylpyrazine (PubChem CID 28518) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-3,5,6-trimethylpyrazine.

Molecular Properties

Compound Name2-ethyl-3,5,6-trimethylpyrazine
PubChem CID28518
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-3,5,6-trimethylpyrazine
SMILESCCc1nc(C)c(C)nc1C
InChIInChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
InChIKeyFPOLJKZKOKXIFE-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5,6-trimethylpyrazine?
The IUPAC name of 2-ethyl-3,5,6-trimethylpyrazine (CID 28518) is 2-ethyl-3,5,6-trimethylpyrazine.
What is the SMILES notation for 2-ethyl-3,5,6-trimethylpyrazine?
The canonical SMILES for 2-ethyl-3,5,6-trimethylpyrazine is CCc1nc(C)c(C)nc1C.
What is the InChIKey of 2-ethyl-3,5,6-trimethylpyrazine?
The InChIKey is FPOLJKZKOKXIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3.
What are the key properties of 2-ethyl-3,5,6-trimethylpyrazine?
2-ethyl-3,5,6-trimethylpyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5,6-trimethylpyrazine is sourced from PubChem (CID 28518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).