1-(1H-1,2,4-Triazol-1-yl)propan-1-one

Base Information

• Chemical Name: 1-(1H-1,2,4-Triazol-1-yl)propan-1-one
• CAS No.: 68228-45-5
• Molecular Formula: C5H7N3O
• Molecular Weight: 125.13
• DSSTox Substance ID: DTXSID20497312
• Nikkaji Number: J391.271J
• Wikidata: Q82346741

Synonyms:68228-45-5;1-(1H-1,2,4-Triazol-1-yl)propan-1-one;SCHEMBL13134141;DTXSID20497312

Chemical Property of 1-(1H-1,2,4-Triazol-1-yl)propan-1-one

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 125.058911855
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N1C=NC=N1

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