1H-Imidazo[4,5-B][1,4]diazocine
Basic information
- CAS
950684-23-8- Standard SMILES
C1=CN=c2nc[nH]c2=NC=C1- InChIKey
WCLAZAOJBVOOFG-UHFFFAOYSA-N- Molecular formula
- C7H6N4
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.05924621
Names & identifiers
- Preferred name
- 1H-Imidazo[4,5-B][1,4]diazocine
- IUPAC
- 1H-imidazo[4,5-b][1,4]diazocine
- English name
- 1H-Imidazo[4,5-b][1,4]diazocine
- Molecular formula
- C7H6N4
- Molecular weight
- 0
Names & synonyms
950684-23-8(9E)-4H-Imidazo[4,5-b][1,4]diazocine1H-IMIDAZO[4,5-B][1,4]DIAZOCINEDTXSID10723470DB-259577[9(9a)E]-4H-Imidazo[4,5-b][1,4]diazocine9H-imidazo[4,5-b][1,4]diazocine
Database identifiers
- CAS
950684-23-8- PubChem CID
- 136277803
- DTXSID
DTXSID10723470
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 306
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Related reactions
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Compound notes
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