chempirical

4-(1H-Tetrazol-5-yl)benzaldehyde

C8H6N4OCAS 74815-22-8174.16 g/mol

Open in Covalent MOL file
ONNHNN
Aldehyde

Properties

Molecular formula
C8H6N4O
Molar mass
174.16 g/mol
Exact mass
174.0542 Da
logP
0.68Crippen estimate
Polar surface area
71.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
74815-22-8
SMILES
C1=CC(=CC=C1C=O)C2=NNN=N2
InChIKey
SRGPTCYCHZMFOR-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)

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Names and synonyms

1 names
  • 4-(1H-1,2,3,4-Tetrazol-5-yl)benzaldehyde

Work with 4-(1H-Tetrazol-5-yl)benzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-467 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-357 % similar 5-Phenyltetrazole18039-42-455 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-555 % similar 5-(4-Fluorophenyl)-1H-tetrazole50907-21-655 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-855 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-953 % similar 5-(4-Nitro-phenyl)-2H-tetrazole16687-60-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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