1,3,6-Triphenyl-1,2-dihydro-1,2,4,5-tetrazine
Basic information
- CAS
52143-11-0- Standard SMILES
c1ccc(C2=NN=C(c3ccccc3)N(c3ccccc3)N2)cc1- InChIKey
SDOPXHUIICWATK-UHFFFAOYSA-N- Molecular formula
- C20H16N4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13749653
Names & identifiers
- Preferred name
- 1,3,6-Triphenyl-1,2-dihydro-1,2,4,5-tetrazine
- IUPAC
- 2,3,6-triphenyl-1H-1,2,4,5-tetrazine
Names & synonyms
NSC33803552143-11-01,3,6-triphenyl-1,2-dihydro-1,2,4,5-tetrazineSCHEMBL13585295DTXSID90318904NSC-338035
Database identifiers
- CAS
52143-11-0- PubChem CID
- 333901
- DTXSID
DTXSID90318904
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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