2,3-diethyl-5-methylpyrazine

C9H14N2 — CID 28905

IUPAC2,3-diethyl-5-methylpyrazine
SMILESCCc1ncc(C)nc1CC
InChIInChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
InChIKeyPSINWXIDJYEXLO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.91
Rot. Bonds2

About 2,3-diethyl-5-methylpyrazine

2,3-diethyl-5-methylpyrazine (PubChem CID 28905) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,3-diethyl-5-methylpyrazine.

Molecular Properties

Compound Name2,3-diethyl-5-methylpyrazine
PubChem CID28905
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,3-diethyl-5-methylpyrazine
SMILESCCc1ncc(C)nc1CC
InChIInChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
InChIKeyPSINWXIDJYEXLO-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-methylpyrazine?
The IUPAC name of 2,3-diethyl-5-methylpyrazine (CID 28905) is 2,3-diethyl-5-methylpyrazine.
What is the SMILES notation for 2,3-diethyl-5-methylpyrazine?
The canonical SMILES for 2,3-diethyl-5-methylpyrazine is CCc1ncc(C)nc1CC.
What is the InChIKey of 2,3-diethyl-5-methylpyrazine?
The InChIKey is PSINWXIDJYEXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3.
What are the key properties of 2,3-diethyl-5-methylpyrazine?
2,3-diethyl-5-methylpyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-methylpyrazine is sourced from PubChem (CID 28905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).