3-(3-Methoxy-4-methylphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
Basic information
- CAS
62052-26-0- Standard SMILES
COc1cc(-n2nnc3cccnc32)ccc1C- InChIKey
BLXPLATWPWMJOF-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- 3-(3-Methoxy-4-methylphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine
- IUPAC
- 3-(3-methoxy-4-methylphenyl)triazolo[4,5-b]pyridine
Names & synonyms
62052-26-03-(3-Methoxy-4-methylphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridineCHEMBL3245693DTXSID20498586
Database identifiers
- CAS
62052-26-0- PubChem CID
- 12445481
- DTXSID
DTXSID20498586- ChEMBL
CHEMBL3245693
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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