Basic information
- CAS
121845-63-4- Standard SMILES
CCOc1ccc(-c2nnc3ccncc3n2)cc1- InChIKey
VQLHQAWJTBFBDQ-UHFFFAOYSA-N- Molecular formula
- C14H12N4O
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.10111102
Names & identifiers
- Preferred name
- 3-(4-Ethoxy-phenyl)-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-(4-ethoxyphenyl)pyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-63-43-(4-Ethoxy-phenyl)-pyrido(3,4-e)(1,2,4)triazine3-(4-ethoxyphenyl)pyrido[3,4-e][1,2,4]triazine3-(4-Ethoxy-phenyl)-pyrido[3,4-e][1,2,4]triazineCHEMBL82821DTXSID60153400
Database identifiers
- CAS
121845-63-4- PubChem CID
- 516612
- DTXSID
DTXSID60153400- ChEMBL
CHEMBL82821- Nikkaji
- J239.921K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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