Basic information
- Standard SMILES
Cc1cccc(C)c1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1- InChIKey
FZCLCZFKPUJXFM-UHFFFAOYSA-N- Molecular formula
- C18H19F3N6
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.16232912
Names & identifiers
- Preferred name
- 6-[4-(2,6-Dimethylphenyl)piperazino]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
- IUPAC
- 6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
338962-60-06-[4-(2,6-dimethylphenyl)piperazino]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine6-[4-(2,6-dimethylphenyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineMLS000540529SMR000125787SCHEMBL2262575CHEMBL1578101BDBM67805cid_1479660HMS2290P19AKOS005095329
Show more names
5M-7026-[4-(2,6-dimethylphenyl)piperazino]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine6-[4-(2,6-dimethylphenyl)-1-piperazinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Database identifiers
- PubChem CID
- 1479660
- ChEMBL
CHEMBL1578101
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Linked notes
Loading…