Basic information
- Standard SMILES
CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3[nH]nnc3C(F)(F)F)CC2)nn1- InChIKey
IAAZQDWNODTDSC-UHFFFAOYSA-N- Molecular formula
- C18H23F3N8O2
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.18960649
Names & identifiers
- Preferred name
- 6-[4-(5-trifluoromethyl-3H-[1,2,3]triazole-4-carbonyl)-piperazin-1-yl]pyridazine-3-carboxylic acid (3-methylbutyl)amide
- IUPAC
- N-(3-methylbutyl)-6-[4-[5-(trifluoromethyl)-2H-triazole-4-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
Names & synonyms
6-[4-(5-trifluoromethyl-3H-[1,2,3]triazole-4-carbonyl)-piperazin-1-yl]pyridazine-3-carboxylic acid (3-methylbutyl)amideSCHEMBL937297
Database identifiers
- PubChem CID
- 66849564
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
5 records
Compound notes
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