2,4,6-Triphenyl-1,2,3,4-tetrahydro-(1,2,4,5)tetrazine
Basic information
- CAS
22459-57-0- Standard SMILES
c1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1- InChIKey
DKUZMXLSCVOALE-UHFFFAOYSA-N- Molecular formula
- C20H18N4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15314659
Names & identifiers
- Preferred name
- 2,4,6-Triphenyl-1,2,3,4-tetrahydro-(1,2,4,5)tetrazine
- IUPAC
- 2,4,6-triphenyl-1,3-dihydro-1,2,4,5-tetrazine
Names & synonyms
22459-57-0DTXSID503297132,4,6-triphenyl-1,2,3,4-tetrahydro-(1,2,4,5)tetrazineRefChem:245878DTXCID10280811SCHEMBL265449SCHEMBL2662342,4,6-triphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazineAKOS0243430442,4,6-triphenyl-3,4-dihydro-1,2,4,5-tetrazin-1(2h)-yl
Database identifiers
- CAS
22459-57-0- PubChem CID
- 422973
- DTXSID
DTXSID50329713- Nikkaji
- J2.005.386K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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