2-Imino-2,3-dihydro-1H-imidazo(1,2-b)(1,2,4)triazole-5,6-dione
Basic information
- CAS
39958-44-6- Standard SMILES
Nc1nc2n(n1)C(=O)C(=O)N2- InChIKey
OBUBYXWLXRSLTH-UHFFFAOYSA-N- Molecular formula
- C4H3N5O2
- Average molar mass
- 153.1 g/mol
- Monoisotopic mass
- 153.02867436
Names & identifiers
- Preferred name
- 2-Imino-2,3-dihydro-1H-imidazo(1,2-b)(1,2,4)triazole-5,6-dione
- IUPAC
- 2-amino-4H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
Names & synonyms
39958-44-6J3IOQ6CMG22-Imino-2,3-dihydro-1H-imidazo(1,2-b)(1,2,4)triazole-5,6-dioneUNII-J3IOQ6CMG2NSC 177950NSC-177950DTXSID201929962-Imino-2,3-dihydro-1H-imidazo[1,2-b][1,2,4]triazole-5,6-dioneRefChem:87633DTXCID60115487NSC1779502-amino-1H-imidazo[1,2-b][1,2,4]triazole-5,6-dione
Show more names
AKOS024359365DS-004202ST509888612-amino-4H-1,3-diazolidino[1,2-d]1,2,4-triazole-5,6-dione2-imino-1,3-dihydroimidazo[1,2-b][1,2,4]triazole-5,6-dione
Database identifiers
- CAS
39958-44-6- PubChem CID
- 301327
- DTXSID
DTXSID20192996- UNII
- J3IOQ6CMG2
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
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Related reactions
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Compound notes
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