Basic information
- Standard SMILES
CCC(CC)c1cc(C)nn2c(-c3scc(-c4ncnn4C)c3C)c(C)nc12- InChIKey
RSMGAINDWQILLY-UHFFFAOYSA-N- Molecular formula
- C21H26N6S
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.19396603
Names & identifiers
- Preferred name
- 8-(1-ethyl-propyl)-2,6-dimethyl-3-[3-methyl-4-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiophen-2-yl]-imidazo[1,2-b]pyridazine
- IUPAC
- 2,6-dimethyl-3-[3-methyl-4-(2-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-8-pentan-3-ylimidazo[1,2-b]pyridazine
Names & synonyms
SCHEMBL3926814RSMGAINDWQILLY-UHFFFAOYSA-N8-(1-ethyl-propyl)-2,6-dimethyl-3-[3-methyl-4-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiophen-2-yl]-imidazo[1,2-b]pyridazine
Database identifiers
- PubChem CID
- 57933005
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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