Basic information
- CAS
136805-41-9- Standard SMILES
Cn1c(N)nc(C#N)c1C#N- InChIKey
TWBISSNIBRVTHW-UHFFFAOYSA-N- Molecular formula
- C6H5N5
- Average molar mass
- 147.14 g/mol
- Monoisotopic mass
- 147.05449518
Names & identifiers
- Preferred name
- 2-Amino-1-methyl-1H-imidazole-4,5-dicarbonitrile
- IUPAC
- 2-amino-1-methylimidazole-4,5-dicarbonitrile
Names & synonyms
2-Amino-1-methyl-1H-imidazole-4,5-dicarbonitrile136805-41-92-amino-1-methylimidazole-4,5-dicarbonitrileSCHEMBL7219382DTXSID30565531CCA11767AKOS006221886
Database identifiers
- CAS
136805-41-9- PubChem CID
- 14925614
- DTXSID
DTXSID30565531- Nikkaji
- J762.769F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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