Basic information
- CAS
40848-48-4- Standard SMILES
c1ccc(-c2nnc3ccncc3n2)cc1- InChIKey
SNAMXDPWMHPIQG-UHFFFAOYSA-N- Molecular formula
- C12H8N4
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.07489627
Names & identifiers
- Preferred name
- 3-Phenyl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-phenylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
40848-48-43-Phenyl-pyrido(3,4-e)(1,2,4)triazine3-Phenyl-pyrido[3,4-e][1,2,4]triazineDTXSID40193824RefChem:281784DTXCID801163153-phenylpyrido[3,4-e][1,2,4]triazineCHEMBL84019
Database identifiers
- CAS
40848-48-4- PubChem CID
- 516601
- DTXSID
DTXSID40193824- ChEMBL
CHEMBL84019- Nikkaji
- J239.910E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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