2-ethoxy-3-pentylpyrazine

C11H18N2O — CID 528315

IUPAC2-ethoxy-3-pentylpyrazine
SMILESCCCCCc1nccnc1OCC
InChIInChI=1S/C11H18N2O/c1-3-5-6-7-10-11(14-4-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3
InChIKeyZTFRROZFJBQMHI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.61
Rot. Bonds6

About 2-ethoxy-3-pentylpyrazine

2-ethoxy-3-pentylpyrazine (PubChem CID 528315) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-ethoxy-3-pentylpyrazine.

Molecular Properties

Compound Name2-ethoxy-3-pentylpyrazine
PubChem CID528315
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-ethoxy-3-pentylpyrazine
SMILESCCCCCc1nccnc1OCC
InChIInChI=1S/C11H18N2O/c1-3-5-6-7-10-11(14-4-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3
InChIKeyZTFRROZFJBQMHI-UHFFFAOYSA-N
XLogP2.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-pentylpyrazine?
The IUPAC name of 2-ethoxy-3-pentylpyrazine (CID 528315) is 2-ethoxy-3-pentylpyrazine.
What is the SMILES notation for 2-ethoxy-3-pentylpyrazine?
The canonical SMILES for 2-ethoxy-3-pentylpyrazine is CCCCCc1nccnc1OCC.
What is the InChIKey of 2-ethoxy-3-pentylpyrazine?
The InChIKey is ZTFRROZFJBQMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-6-7-10-11(14-4-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethoxy-3-pentylpyrazine?
2-ethoxy-3-pentylpyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-pentylpyrazine is sourced from PubChem (CID 528315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).