Basic information
- Standard SMILES
COc1ccc(Nc2nn3c(-c4ccc(OC)cc4)nnc3c3ccccc23)cc1- InChIKey
AQCVUDLYFUQNLF-UHFFFAOYSA-N- Molecular formula
- C23H19N5O2
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amine
- IUPAC
- N,3-bis(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Names & synonyms
SCHEMBL2024771AQCVUDLYFUQNLF-UHFFFAOYSA-N(4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-amine(4-Methoxyphenyl)-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amine
Database identifiers
- PubChem CID
- 11675643
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 550
Related reactions
2 records
Compound notes
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