4-(3-Nitrophenyl)-2,6-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
Basic information
- CAS
51808-17-4- Standard SMILES
O=[N+]([O-])c1cccc(N2CN(c3ccccc3)NC(c3ccccc3)=N2)c1- InChIKey
RENRNSUADHZSHZ-UHFFFAOYSA-N- Molecular formula
- C20H17N5O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.1382248
Names & identifiers
- Preferred name
- 4-(3-Nitrophenyl)-2,6-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
- IUPAC
- 4-(3-nitrophenyl)-2,6-diphenyl-1,3-dihydro-1,2,4,5-tetrazine
Names & synonyms
51808-17-4NSC299958DTXSID803161514-(3-Nitrophenyl)-2,6-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazineNSC-299958
Database identifiers
- CAS
51808-17-4- PubChem CID
- 327013
- DTXSID
DTXSID80316151
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
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