3,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzaldehyde

HCID 58706331
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Basic information

Standard SMILES
CCOc1cc(C=O)cc(OCC)c1-n1cncn1
InChIKey
GNFWZCBIAZYIQQ-UHFFFAOYSA-N
Molecular formula
C13H15N3O3
Average molar mass
261.28 g/mol
Monoisotopic mass
261.11134135

Names & identifiers

Preferred name
3,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzaldehyde
IUPAC
3,5-diethoxy-4-(1,2,4-triazol-1-yl)benzaldehyde

Names & synonyms

SCHEMBL1121494GNFWZCBIAZYIQQ-UHFFFAOYSA-NDB-2039783,5-Diethoxy-4-[1,2,4]triazol-1-yl-benzaldehyde3,5-Diethoxy-4-(1h-1,2,4-triazol-1-yl)benzaldehyde909854-92-8

Database identifiers

PubChem CID
58706331

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
66.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19

Related reactions

8 records
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Compound notes

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