Basic information
- CAS
112108-89-1- Standard SMILES
CCc1nc(C#N)c(C)[nH]1- InChIKey
DVOUNUJDHHZFRS-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.0796473
Names & identifiers
- Preferred name
- 2-Ethyl-5-methyl-1H-imidazole-4-carbonitrile
- IUPAC
- 2-ethyl-5-methyl-1H-imidazole-4-carbonitrile
Names & synonyms
2-Ethyl-5-methyl-1H-imidazole-4-carbonitrile112108-89-1SCHEMBL6334225SCHEMBL13891097DTXSID10741250
Database identifiers
- CAS
112108-89-1- PubChem CID
- 69745083
- DTXSID
DTXSID10741250
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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