Basic information
- CAS
14141-66-3- Standard SMILES
COc1ccc(-c2nnc(-c3ccc(OC)cc3)nn2)cc1- InChIKey
GHSDQCKTVPWTLM-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.1116757
Names & identifiers
- Preferred name
- 3,6-Bis(4-methoxyphenyl)-1,2,4,5-tetrazine
- IUPAC
- 3,6-bis(4-methoxyphenyl)-1,2,4,5-tetrazine
Names & synonyms
3,6-bis(4-methoxyphenyl)-1,2,4,5-tetrazine14141-66-31,2,4,5-Tetrazine,3,6-bis(4-methoxyphenyl)-NSC111299SCHEMBL22112581DTXSID30296757AKOS001690066NSC-111299EU-0015627SR-010000851033,6-Bis-(4-methoxy-phenyl)-[1,2,4,5]tetrazineSR-01000085103-1
Database identifiers
- CAS
14141-66-3- PubChem CID
- 269795
- DTXSID
DTXSID30296757- Nikkaji
- J663.925I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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