Basic information
- Standard SMILES
Nc1nc(Cl)c2nnn(Cc3ccccc3F)c2n1- InChIKey
ZRMUCGRZXKXFOK-UHFFFAOYSA-N- Molecular formula
- C11H8ClFN6
- Average molar mass
- 278.67 g/mol
- Monoisotopic mass
- 278.0483001
Names & identifiers
- Preferred name
- 5-amino-7-chloro-3-(2-fluorobenzyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine
- IUPAC
- 7-chloro-3-[(2-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-5-amine
Names & synonyms
SCHEMBL4046227ZRMUCGRZXKXFOK-UHFFFAOYSA-N5-amino-7-chloro-3-(2-fluorobenzyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine7-chloro-3-(2-fluorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
Database identifiers
- PubChem CID
- 21874567
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
11 records
Compound notes
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