Basic information
- CAS
121845-52-1- Standard SMILES
c1cc2nnc(C3CCCCC3)nc2cn1- InChIKey
AJBBGDNWIVFDFK-UHFFFAOYSA-N- Molecular formula
- C12H14N4
- Average molar mass
- 214.27 g/mol
- Monoisotopic mass
- 214.12184646
Names & identifiers
- Preferred name
- 3-Cyclohexyl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-cyclohexylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-52-13-cyclohexylpyrido[3,4-e][1,2,4]triazine3-Cyclohexyl-pyrido(3,4-e)(1,2,4)triazine3-Cyclohexyl-pyrido[3,4-e][1,2,4]triazineCHEMBL84214DTXSID60153389
Database identifiers
- CAS
121845-52-1- PubChem CID
- 516600
- DTXSID
DTXSID60153389- ChEMBL
CHEMBL84214- Nikkaji
- J239.909A
Properties
Computed structural properties
- XLogP
- 1.8
- 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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