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8-(Benzyloxy)-[1,2,4]triazolo[4,3-a]pyridine

HCID 20519399
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(COc2cccn3cnnc23)cc1
InChIKey
RRNNBDOHOLRFLB-UHFFFAOYSA-N
Molecular formula
C13H11N3O
Average molar mass
225.25 g/mol

Names & identifiers

Preferred name
8-(Benzyloxy)-[1,2,4]triazolo[4,3-a]pyridine
IUPAC
8-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine

Names & synonyms

8-(benzyloxy)-[1,2,4]triazolo[4,3-a]pyridine1065608-70-9SCHEMBL2660859RRNNBDOHOLRFLB-UHFFFAOYSA-N

Database identifiers

PubChem CID
20519399

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
243

Related reactions

3 records
New reaction record
HRID 215081 reaction equation
HRID 215081As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1809641 reaction equation
HRID 1809641As productuspto-grants-2013_01
HRID 1809642 reaction equation
HRID 1809642As reactantuspto-grants-2013_01

Compound notes

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