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4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol

HCID 24901698
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Oc1ccc(Cc2nnc3ccc(-c4ccccc4)cn23)cc1
InChIKey
AIZTYZRNBCCRMR-UHFFFAOYSA-N
Molecular formula
C19H15N3O
Average molar mass
301.3 g/mol

Names & identifiers

Preferred name
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
IUPAC
4-[(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

Names & synonyms

Triazolopyridine, 3c1002303-04-9CHEMBL496101SCHEMBL2697895BDBM24469AIZTYZRNBCCRMR-UHFFFAOYSA-N4-((6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenolDA-165584-({6-phenyl-[1,2,4]triazolo[3,4-a]pyridin-3-yl}methyl)phenol4-[(6-phenyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol

Database identifiers

PubChem CID
24901698
ChEMBL
CHEMBL496101

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
50.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Formal charge
0
Complexity
377

Related reactions

6 records
New reaction record
HRID 40236 reaction equation
HRID 40236As productuspto-grants-2013_09
HRID 219126 reaction equation
HRID 219126As productuspto-grants-2012_06
HRID 304272 reaction equation
HRID 304272As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1511325 reaction equation
HRID 1511325As productuspto-grants-2012_07
HRID 1513697 reaction equation
HRID 1513697As productuspto-grants-2012_07
HRID 2176535 reaction equation
HRID 2176535As productuspto-grants-2015_06

Compound notes

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