4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

HCID 16747843
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Basic information

Standard SMILES
COc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1OCc1ccccc1
InChIKey
ISFGXCNQQSTZIP-UHFFFAOYSA-N
Molecular formula
C24H21N5O2
Average molar mass
411.5 g/mol
Monoisotopic mass
411.16952493

Names & identifiers

Preferred name
4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole
IUPAC
4-[(4-methoxy-3-phenylmethoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile

Names & synonyms

SCHEMBL2060144ISFGXCNQQSTZIP-UHFFFAOYSA-N4-[(3-benzyloxy-4-methoxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

Database identifiers

PubChem CID
16747843

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
76.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
31

Related reactions

3 records
New reaction record

Linked notes

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