Basic information
- CAS
78246-21-6- Standard SMILES
CCC(C)Cc1cnc(OC)c(C)n1- InChIKey
SMSDNXXXQGQISN-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- 3-Methyl-2-methoxy-5-(2-methylbutyl)pyrazine
- IUPAC
- 2-methoxy-3-methyl-5-(2-methylbutyl)pyrazine
Names & synonyms
3-Methyl-2-methoxy-5-(2-methylbutyl)pyrazine78246-21-6DTXSID10335956RefChem:280777DTXCID90287045SMSDNXXXQGQISN-UHFFFAOYSA-N2-methoxy-3-methyl-5-(2-methylbutyl)pyrazineCHEMBL96728Pyrazine, 2-methoxy-3-methyl-5-(2-methylbutyl)
Database identifiers
- CAS
78246-21-6- PubChem CID
- 528128
- DTXSID
DTXSID10335956- ChEMBL
CHEMBL96728
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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