CAS 1243250-10-3

5-Bromo-2-ethyl-1,2-dihydro-3H-1,2,4-triazol-3-one

Description:

5-Bromo-2-ethyl-1,2-dihydro-3H-1,2,4-triazol-3-one is a heterocyclic compound characterized by its triazole ring structure, which contains nitrogen atoms that contribute to its unique chemical properties. This compound features a bromine substituent at the 5-position and an ethyl group at the 2-position of the triazole ring, influencing its reactivity and solubility. The presence of the carbonyl group in the 3-position enhances its potential for hydrogen bonding and reactivity in various chemical reactions. It is typically a solid at room temperature and may exhibit moderate to high solubility in polar solvents due to the presence of functional groups. The compound may have applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis, owing to its structural features that allow for further functionalization. Safety data should be consulted for handling and storage, as halogenated compounds can pose specific health and environmental risks.

Formula: C₄H₆BrN₃O

InChI: InChI=1S/C4H6BrN3O/c1-2-8-4(9)6-3(5)7-8/h2H2,1H3,(H,6,7,9)

InChI key: InChIKey=DPNFETVBWMNYHR-UHFFFAOYSA-N

SMILES: C(C)N1C(=O)NC(Br)=N1

Synonyms:

• 3H-1,2,4-Triazol-3-one, 5-bromo-2-ethyl-1,2-dihydro-
• 5-Bromo-2-ethyl-1,2-dihydro-3H-1,2,4-triazol-3-one