Basic information
- CAS
78113-92-5- Standard SMILES
CCCCNc1nnc(-c2ccccc2)nn1- InChIKey
GXTZAQZNBWMBFN-UHFFFAOYSA-N- Molecular formula
- C12H15N5
- Average molar mass
- 229.28 g/mol
- Monoisotopic mass
- 229.1327455
Names & identifiers
- Preferred name
- N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
- IUPAC
- N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amine
Names & synonyms
78113-92-5N-butyl-6-phenyl-1,2,4,5-tetrazin-3-amineNSC364384DTXSID00320790NSC-364384
Database identifiers
- CAS
78113-92-5- PubChem CID
- 339178
- DTXSID
DTXSID00320790
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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