3-(4-Tert-Butyl-phenyl)-pyrido(3,4-e)(1,2,4)triazine
Basic information
- CAS
121845-58-7- Standard SMILES
CC(C)(C)c1ccc(-c2nnc3ccncc3n2)cc1- InChIKey
JMEJFIDFLUQJQG-UHFFFAOYSA-N- Molecular formula
- C16H16N4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13749653
Names & identifiers
- Preferred name
- 3-(4-Tert-Butyl-phenyl)-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-(4-tert-butylphenyl)pyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-58-73-(4-Tert-Butyl-phenyl)-pyrido(3,4-e)(1,2,4)triazine3-(4-tert-butylphenyl)pyrido[3,4-e][1,2,4]triazine3-(4-Tert-Butyl-phenyl)-pyrido[3,4-e][1,2,4]triazineCHEMBL83878DTXSID70153395
Database identifiers
- CAS
121845-58-7- PubChem CID
- 516607
- DTXSID
DTXSID70153395- ChEMBL
CHEMBL83878- Nikkaji
- J239.916D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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