3,6-Dihydro-1,2,4,5-tetrazine
Basic information
- CAS
72191-98-1- Standard SMILES
C1N=NCN=N1- InChIKey
HPYPYCHAOCIZKX-UHFFFAOYSA-N- Molecular formula
- C2H4N4
- Average molar mass
- 84.08 g/mol
- Monoisotopic mass
- 84.04359615
Names & identifiers
- Preferred name
- 3,6-Dihydro-1,2,4,5-tetrazine
- IUPAC
- 3,6-dihydro-1,2,4,5-tetrazine
Names & synonyms
3,6-dihydro-1,2,4,5-tetrazine72191-98-1RefChem:2723673,6-Dihydro-s-tetrazineSCHEMBL7191653DTXSID8013079423,6-dihydo-1,2,4,5-tetrazine
Database identifiers
- CAS
72191-98-1- PubChem CID
- 458415
- DTXSID
DTXSID801307942- Nikkaji
- J1.193.629F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 63.5
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Compound notes
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