3-(3,4-Dimethoxyphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
Basic information
- CAS
62052-21-5- Standard SMILES
COc1ccc(-n2nnc3cccnc32)cc1OC- InChIKey
FSDWONACMGXBDW-UHFFFAOYSA-N- Molecular formula
- C13H12N4O2
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.09602564
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
- IUPAC
- 3-(3,4-dimethoxyphenyl)triazolo[4,5-b]pyridine
Names & synonyms
62052-21-53-(3,4-Dimethoxyphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridineCHEMBL3245682DTXSID30498577
Database identifiers
- CAS
62052-21-5- PubChem CID
- 12445472
- DTXSID
DTXSID30498577- ChEMBL
CHEMBL3245682
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…