Basic information
- Standard SMILES
O=c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2n[nH]c(=O)n2n1Cc1ccc(C(F)(F)F)cc1- InChIKey
RFHRVWIVUDHASH-UHFFFAOYSA-N- Molecular formula
- C25H15Cl2F3N4O2
- Average molar mass
- 531.3 g/mol
Names & identifiers
- Preferred name
- 5-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6(2H,5H)-dione
- IUPAC
- 7,8-bis(4-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-2H-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione
Names & synonyms
5-(4-(Trifluoromethyl)benzyl)-7,8-bis(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6(2H,5H)-dioneSCHEMBL3550472
Database identifiers
- PubChem CID
- 59515519
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 932
Related reactions
2 records
Compound notes
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