1H-Imidazole-4-carboxamide,5-amino-2-[2-[4-(aminocarbonyl)-1H-imidazol-5-YL]diazenyl]-
Basic information
- CAS
87614-68-4- Standard SMILES
NC(=O)c1[nH]c(N=Nc2nc[nH]c2C(N)=O)nc1N- InChIKey
MGHABPBWUALZRM-UHFFFAOYSA-N- Molecular formula
- C8H9N9O2
- Average molar mass
- 263.22 g/mol
- Monoisotopic mass
- 263.08792056
Names & identifiers
- Preferred name
- 1H-Imidazole-4-carboxamide,5-amino-2-[2-[4-(aminocarbonyl)-1H-imidazol-5-YL]diazenyl]-
- IUPAC
- 4-amino-2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-1H-imidazole-5-carboxamide
Names & synonyms
DS-0028871H-IMIDAZOLE-4-CARBOXAMIDE,5-AMINO-2-[2-[4-(AMINOCARBONYL)-1H-IMIDAZOL-5-YL]DIAZENYL]-
Database identifiers
- CAS
87614-68-4- PubChem CID
- 327401
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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