Basic information
- Standard SMILES
CC[C@H](C)Oc1nn2c(N)nnc2c(C)c1C- InChIKey
QQEPPBBSXRGVTG-LURJTMIESA-N- Molecular formula
- C11H17N5O
- Average molar mass
- 235.29 g/mol
- Monoisotopic mass
- 235.14331018
Names & identifiers
- Preferred name
- 6-((S)-sec-Butoxy)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine
- IUPAC
- 6-[(2S)-butan-2-yl]oxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
Names & synonyms
SCHEMBL1205504QQEPPBBSXRGVTG-LURJTMIESA-N6-((S)-sec-Butoxy)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine
Database identifiers
- PubChem CID
- 58045871
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
2 records
Compound notes
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