7-Benzyl-7h-imidazo[4,5-e]tetrazolo[1,5-c][1,2,3]triazine
Basic information
- CAS
13976-29-9- Standard SMILES
c1ccc(Cn2cnc3c2nnn2nnnc32)cc1- InChIKey
SXFCHMKSQULRSE-UHFFFAOYSA-N- Molecular formula
- C11H8N8
- Average molar mass
- 252.24 g/mol
- Monoisotopic mass
- 252.08719229
Names & identifiers
- Preferred name
- 7-Benzyl-7h-imidazo[4,5-e]tetrazolo[1,5-c][1,2,3]triazine
- IUPAC
- 10-benzyl-3,4,5,6,7,8,10,12-octazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Names & synonyms
13976-29-97-benzyl-7h-imidazo[4,5-e]tetrazolo[1,5-c][1,2,3]triazineNSC90333DTXSID20293513NSC-90333
Database identifiers
- CAS
13976-29-9- PubChem CID
- 259778
- DTXSID
DTXSID20293513
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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