5-Isobutyl-3-methyl-2-methoxypyrazine
Basic information
- CAS
78246-20-5- Standard SMILES
COc1ncc(CC(C)C)nc1C- InChIKey
RSRBELMBYIBNLC-UHFFFAOYSA-N- Molecular formula
- C10H16N2O
- Average molar mass
- 180.25 g/mol
- Monoisotopic mass
- 180.12626314
Names & identifiers
- Preferred name
- 5-Isobutyl-3-methyl-2-methoxypyrazine
- IUPAC
- 2-methoxy-3-methyl-5-(2-methylpropyl)pyrazine
- English name
- Pyrazine, 2-methoxy-3-methyl-5-(2-methylpropyl)- (9CI)
- Molecular formula
- C10H16N2O
- Molecular weight
- 180.24684
Names & synonyms
5-isobutyl-3-methyl-2-methoxypyrazine78246-20-5DTXSID30335958RefChem:303568DTXCID10287047RSRBELMBYIBNLC-UHFFFAOYSA-N2-methoxy-3-methyl-5-(2-methylpropyl)pyrazinePyrazine, 2-methoxy-3-methyl-5-(2-methylpropyl)-CHEMBL415500SCHEMBL11213705DB-278053Pyrazine, 2-methoxy-3-methyl-5-(2-methylpropyl)
Show more names
Pyrazine, 2-methoxy-3-methyl-5-(2-methylpropyl)- (9CI)
Database identifiers
- CAS
78246-20-5- PubChem CID
- 528135
- DTXSID
DTXSID30335958- ChEMBL
CHEMBL415500
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- LogP
- 2.892 · 2.892 (est)
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Compound notes
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