Basic information
- CAS
121845-75-8- Standard SMILES
Cc1nccc2nnc(-c3ccncc3)nc12- InChIKey
JJBUKSHWPOGRFY-UHFFFAOYSA-N- Molecular formula
- C12H9N5
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.08579531
Names & identifiers
- Preferred name
- 5-Methyl-3-pyridin-4-yl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 5-methyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-75-85-Methyl-3-pyridin-4-yl-pyrido(3,4-e)(1,2,4)triazine5-Methyl-3-pyridin-4-yl-pyrido[3,4-e][1,2,4]triazine5-methyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazineCHEMBL83319DTXSID801534075-methyl-3-(4-pyridyl)pyrido[3,4-e][1,2,4]triazine5-Methyl-3-(pyridin-4-yl)pyrido[3,4-e][1,2,4]triazine
Database identifiers
- CAS
121845-75-8- PubChem CID
- 516625
- DTXSID
DTXSID80153407- ChEMBL
CHEMBL83319- Nikkaji
- J239.887G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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