3,6-Di(propan-2-yl)-1,2,4,5-tetrazine
Basic information
- CAS
13717-93-6- Standard SMILES
CC(C)c1nnc(C(C)C)nn1- InChIKey
HIHLOTXWVCLNEX-UHFFFAOYSA-N- Molecular formula
- C8H14N4
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.12184646
Names & identifiers
- Preferred name
- 3,6-Di(propan-2-yl)-1,2,4,5-tetrazine
- IUPAC
- 3,6-di(propan-2-yl)-1,2,4,5-tetrazine
- English name
- 3,6-Diisopropyl-1,2,4,5-tetrazine
- Molecular formula
- C8H14N4
- Molecular weight
- 166.22
Names & synonyms
3,6-di(propan-2-yl)-1,2,4,5-tetrazine13717-93-6s-Tetrazine, 3,6-diisopropyl-1,2,4,5-Tetrazine, 3,6-bis(1-methylethyl)-SCHEMBL12890926DTXSID20336833HIHLOTXWVCLNEX-UHFFFAOYSA-N3,6-Diisopropyl-1,2,4,5-tetraazine #3,6-Diisopropyl-1,2,4,5-tetrazine
Database identifiers
- CAS
13717-93-6- PubChem CID
- 536642
- DTXSID
DTXSID20336833- Nikkaji
- J100.268F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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