2-butyl-3-methoxypyrazine

C9H14N2O — CID 528313

IUPAC2-butyl-3-methoxypyrazine
SMILESCCCCc1nccnc1OC
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-9(12-2)11-7-6-10-8/h6-7H,3-5H2,1-2H3
InChIKeyCPYHBHYOFYVTEV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.83
Rot. Bonds4

About 2-butyl-3-methoxypyrazine

2-butyl-3-methoxypyrazine (PubChem CID 528313) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-butyl-3-methoxypyrazine.

Molecular Properties

Compound Name2-butyl-3-methoxypyrazine
PubChem CID528313
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-butyl-3-methoxypyrazine
SMILESCCCCc1nccnc1OC
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-9(12-2)11-7-6-10-8/h6-7H,3-5H2,1-2H3
InChIKeyCPYHBHYOFYVTEV-UHFFFAOYSA-N
XLogP1.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methoxypyrazine?
The IUPAC name of 2-butyl-3-methoxypyrazine (CID 528313) is 2-butyl-3-methoxypyrazine.
What is the SMILES notation for 2-butyl-3-methoxypyrazine?
The canonical SMILES for 2-butyl-3-methoxypyrazine is CCCCc1nccnc1OC.
What is the InChIKey of 2-butyl-3-methoxypyrazine?
The InChIKey is CPYHBHYOFYVTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-4-5-8-9(12-2)11-7-6-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-butyl-3-methoxypyrazine?
2-butyl-3-methoxypyrazine has a molecular weight of 166.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methoxypyrazine is sourced from PubChem (CID 528313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).