Basic information
- CAS
121845-77-0- Standard SMILES
Cc1cc2nnc(C)nc2c(C)n1- InChIKey
KXWNZAPDGLNRKM-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 3,5,7-Trimethyl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-77-03,5,7-trimethylpyrido[3,4-e][1,2,4]triazine3,5,7-Trimethyl-pyrido(3,4-e)(1,2,4)triazine3,5,7-Trimethyl-pyrido[3,4-e][1,2,4]triazineCHEMBL312646DTXSID40153408
Database identifiers
- CAS
121845-77-0- PubChem CID
- 516626
- DTXSID
DTXSID40153408- ChEMBL
CHEMBL312646- Nikkaji
- J239.933D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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