Basic information
- Standard SMILES
COc1ccc(-c2cc(=Nc3c(C)cc(C)cc3C)n(C)c3nncn23)cc1OC- InChIKey
CQLVKPKBNSTEFP-UHFFFAOYSA-N- Molecular formula
- C23H25N5O2
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- 7,8-Dihydro-5-(3,4-dimethoxyphenyl)-8-methyl-7-(2,4,6-trimethylphenylimino)-1,2,4-triazolo[4,3-a]pyrimidine
- IUPAC
- 5-(3,4-dimethoxyphenyl)-8-methyl-N-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-7-imine
Names & synonyms
SCHEMBL10688257SCHEMBL10688263CQLVKPKBNSTEFP-UHFFFAOYSA-N7,8-dihydro-5-(3,4-dimethoxyphenyl)-8-methyl-7-(2,4,6-trimethylphenylimino)-1,2,4-triazolo[4,3-a]pyrimidine
Database identifiers
- PubChem CID
- 20152303
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 656
Related reactions
1 records
Compound notes
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