Basic information
- CAS
121845-79-2- Standard SMILES
Cc1cc2nnc(-c3ccncc3)nc2c(C)n1- InChIKey
ZKIOMLWEPUHBCQ-UHFFFAOYSA-N- Molecular formula
- C13H11N5
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.10144537
Names & identifiers
- Preferred name
- 5,7-Dimethyl-3-(4-pyridyl)pyridino[3,4-e]1,2,4-triazine
- IUPAC
- 5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-79-25,7-Dimethyl-3-(4-pyridyl)pyridino[3,4-e]1,2,4-triazine5,7-Dimethyl-3-(pyridin-4-yl)pyrido[3,4-e][1,2,4]triazine5,7-Dimethyl-3-(4-pyridyl)pyridino(3,4-e)1,2,4-triazineCHEMBL311224DTXSID809239855,7-dimethyl-3-(4-pyridyl)pyrido[3,4-e][1,2,4]triazine
Database identifiers
- CAS
121845-79-2- PubChem CID
- 458038
- DTXSID
DTXSID80923985- ChEMBL
CHEMBL311224- Nikkaji
- J239.935K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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