4-(1-benzyl-1H-1,2,3-triazol-5-yl)benzaldehyde

HCID 11680523
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Basic information

Standard SMILES
O=Cc1ccc(-c2cnnn2Cc2ccccc2)cc1
InChIKey
NAEKSZNAUUKMQF-UHFFFAOYSA-N
Molecular formula
C16H13N3O
Average molar mass
263.29 g/mol
Monoisotopic mass
263.10586205

Names & identifiers

Preferred name
4-(1-benzyl-1H-1,2,3-triazol-5-yl)benzaldehyde
IUPAC
4-(3-benzyltriazol-4-yl)benzaldehyde

Names & synonyms

4-(1-benzyl-1H-1,2,3-triazol-5-yl)benzaldehydeSCHEMBL2895624NAEKSZNAUUKMQF-UHFFFAOYSA-N

Database identifiers

PubChem CID
11680523
Nikkaji
J2.253.625G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
47.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20

Related reactions

1 records
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Compound notes

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