3-(2,2-Dimethyl-2H-1,3-benzodioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
Basic information
- CAS
62052-35-1- Standard SMILES
CC1(C)Oc2ccc(-n3nnc4cccnc43)cc2O1- InChIKey
LNZLUVYONUOVOJ-UHFFFAOYSA-N- Molecular formula
- C14H12N4O2
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.09602564
Names & identifiers
- Preferred name
- 3-(2,2-Dimethyl-2H-1,3-benzodioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
- IUPAC
- 3-(2,2-dimethyl-1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridine
Names & synonyms
62052-35-13-(2,2-Dimethylbenzo[d][1,3]dioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridineCHEMBL3244443SCHEMBL11846293DTXSID804985873-(2,2-Dimethyl-2H-1,3-benzodioxol-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
Database identifiers
- CAS
62052-35-1- PubChem CID
- 12445482
- DTXSID
DTXSID80498587- ChEMBL
CHEMBL3244443
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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