Basic information
- CAS
78246-14-7- Standard SMILES
CCOc1ncc(CC(C)C)nc1C- InChIKey
VDQQWQBPRGKQBH-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- 2-Ethoxy-5-isobutyl-3-methylpyrazine
- IUPAC
- 2-ethoxy-3-methyl-5-(2-methylpropyl)pyrazine
Names & synonyms
2-Ethoxy-5-isobutyl-3-methylpyrazine78246-14-7DTXSID30335953RefChem:260357DTXCID10287042VDQQWQBPRGKQBH-UHFFFAOYSA-N2-ethoxy-3-methyl-5-(2-methylpropyl)pyrazineCHEMBL94974SCHEMBL29070262Pyrazine, 2-ethoxy-3-methyl-5-(2-methylpropyl)
Database identifiers
- CAS
78246-14-7- PubChem CID
- 528116
- DTXSID
DTXSID30335953- ChEMBL
CHEMBL94974
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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