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CAS 888720-60-3

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5-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one

Description:
5-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one is a heterocyclic compound characterized by its unique fused ring structure, which includes a pyrrole and a triazine moiety. This compound features a chlorine substituent at the 5-position of the pyrrolo ring, contributing to its chemical reactivity and potential biological activity. The presence of the triazine ring enhances its stability and may influence its interaction with biological targets. Typically, such compounds are of interest in medicinal chemistry due to their potential as pharmaceuticals or agrochemicals. The molecular structure suggests that it may exhibit properties such as antimicrobial or antitumor activity, although specific biological activities would depend on further empirical studies. Additionally, the compound's solubility, melting point, and other physical properties would be influenced by its molecular structure and substituents. As with many heterocycles, the electronic properties imparted by the chlorine atom and the nitrogen atoms in the triazine ring can significantly affect its reactivity and interactions in various chemical environments.
Formula:C6H4ClN3O
InChI:InChI=1S/C6H4ClN3O/c7-4-1-2-10-5(4)6(11)8-3-9-10/h1-3H,(H,8,9,11)
InChI key:InChIKey=HRJQMAIKMCZVAD-UHFFFAOYSA-N
SMILES:O=C1C=2N(NC=N1)C=CC2Cl
Synonyms:
  • 5-Chloropyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
  • 5-chloro-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
  • Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one, 5-chloro-
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