Basic information
- Standard SMILES
COc1ccc(Nc2ncc3c(C)nc(-c4sccc4Br)n3n2)cc1- InChIKey
VIWNKKYMNUGUAF-UHFFFAOYSA-N- Molecular formula
- C17H14BrN5OS
- Average molar mass
- 416.3 g/mol
Names & identifiers
- Preferred name
- 7-(3-bromo-2-thienyl)-5-methyl-N-[4-(methyloxy)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
- IUPAC
- 7-(3-bromothiophen-2-yl)-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
Names & synonyms
SCHEMBL3994408VIWNKKYMNUGUAF-UHFFFAOYSA-N7-(3-bromo-2-thienyl)-5-methyl-N-[4-(methyloxy)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
Database identifiers
- PubChem CID
- 11774362
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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