3-Bromonaphtho(2,1-e)tetraazolo(1,5-b)(1,2,4)triazine
Basic information
- CAS
81940-11-6- Standard SMILES
Brc1ccc2c(ccc3nc4nnnn4nc32)c1- InChIKey
IGKKWANOVXPFJE-UHFFFAOYSA-N- Molecular formula
- C11H5BrN6
- Average molar mass
- 301.1 g/mol
- Monoisotopic mass
- 299.97591
Names & identifiers
- Preferred name
- 3-Bromonaphtho(2,1-e)tetraazolo(1,5-b)(1,2,4)triazine
- IUPAC
- 5-bromo-11,13,14,15,16,17-hexazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,8,10,12,14-octaene
Names & synonyms
81940-11-6D6G4ZB2PUY3-Bromonaphtho(2,1-e)tetraazolo(1,5-b)(1,2,4)triazineUNII-D6G4ZB2PUYNSC371811NSC 371811NSC-3718113-Bromonaphtho[2,1-e]tetraazolo[1,5-b][1,2,4]triazineDTXSID202314703-Bromonaphtho[2,1-e]tetrazolo[1,5-b][1,2,4]triazineNaphtho[2,1-e]tetrazolo[1,5-b][1,2,4]triazine, 3-bromo-5-bromo-11,13,14,15,16,17-hexazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2(7),3,5,8,10,12,14-octaene
Database identifiers
- CAS
81940-11-6- PubChem CID
- 340736
- DTXSID
DTXSID20231470- UNII
- D6G4ZB2PUY
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
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Related reactions
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Compound notes
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