2-ethyl-6-propylpyrazine

C9H14N2 — CID 54541556

IUPAC2-ethyl-6-propylpyrazine
SMILESCCCc1cncc(CC)n1
InChIInChI=1S/C9H14N2/c1-3-5-9-7-10-6-8(4-2)11-9/h6-7H,3-5H2,1-2H3
InChIKeySMIYHKKKJFJATQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.99
Rot. Bonds3

About 2-ethyl-6-propylpyrazine

2-ethyl-6-propylpyrazine (PubChem CID 54541556) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-6-propylpyrazine.

Molecular Properties

Compound Name2-ethyl-6-propylpyrazine
PubChem CID54541556
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-6-propylpyrazine
SMILESCCCc1cncc(CC)n1
InChIInChI=1S/C9H14N2/c1-3-5-9-7-10-6-8(4-2)11-9/h6-7H,3-5H2,1-2H3
InChIKeySMIYHKKKJFJATQ-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propylpyrazine?
The IUPAC name of 2-ethyl-6-propylpyrazine (CID 54541556) is 2-ethyl-6-propylpyrazine.
What is the SMILES notation for 2-ethyl-6-propylpyrazine?
The canonical SMILES for 2-ethyl-6-propylpyrazine is CCCc1cncc(CC)n1.
What is the InChIKey of 2-ethyl-6-propylpyrazine?
The InChIKey is SMIYHKKKJFJATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-9-7-10-6-8(4-2)11-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-6-propylpyrazine?
2-ethyl-6-propylpyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propylpyrazine is sourced from PubChem (CID 54541556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).