3-(6-Methyl-2H-1,3-benzodioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
Basic information
- CAS
62052-36-2- Standard SMILES
Cc1cc2c(cc1-n1nnc3cccnc31)OCO2- InChIKey
NWLVIQOJNDLACN-UHFFFAOYSA-N- Molecular formula
- C13H10N4O2
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.08037557
Names & identifiers
- Preferred name
- 3-(6-Methyl-2H-1,3-benzodioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
- IUPAC
- 3-(6-methyl-1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridine
Names & synonyms
62052-36-23-(6-Methylbenzo[d][1,3]dioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridineCHEMBL3245695SCHEMBL11844360DTXSID004985893-(6-Methyl-2H-1,3-benzodioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
Database identifiers
- CAS
62052-36-2- PubChem CID
- 12445484
- DTXSID
DTXSID00498589- ChEMBL
CHEMBL3245695
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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