CAS 859205-90-6

Pyrrolo[2,1-f][1,2,4]triazine-5-methanaminium, 4-chloro-N,N,N-triethyl-, bromide (1:1)

Description:

Pyrrolo[2,1-f][1,2,4]triazine-5-methanaminium, 4-chloro-N,N,N-triethyl-, bromide (1:1), identified by CAS number 859205-90-6, is a synthetic organic compound characterized by its complex heterocyclic structure. This compound features a pyrrolo-triazine core, which contributes to its potential biological activity and chemical reactivity. The presence of the triethylammonium group enhances its solubility in polar solvents and may influence its interaction with biological systems. The bromide counterion suggests that the compound may exhibit ionic characteristics, which can affect its stability and solubility. Additionally, the 4-chloro substitution may impart specific electronic properties, potentially enhancing its reactivity or selectivity in chemical reactions. Such compounds are often of interest in medicinal chemistry and materials science due to their unique structural features and potential applications in drug development or as functional materials. However, detailed studies on its biological activity, toxicity, and environmental impact would be necessary to fully understand its properties and applications.

Formula: C₁₃H₂₀ClN₄·Br

InChI: InChI=1S/C13H20ClN4.BrH/c1-4-18(5-2,6-3)9-11-7-8-17-12(11)13(14)15-10-16-17;/h7-8,10H,4-6,9H2,1-3H3;1H/q+1;/p-1

InChI key: InChIKey=IKUIKOFBBHCFRH-UHFFFAOYSA-M

SMILES: C([N+](CC)(CC)CC)C1=C2N(C=C1)N=CN=C2Cl.[Br-]

Synonyms:

• Pyrrolo[2,1-f][1,2,4]triazine-5-methanaminium, 4-chloro-N,N,N-triethyl-, bromide (1:1)
• Pyrrolo[2,1-f][1,2,4]triazine-5-methanaminium, 4-chloro-N,N,N-triethyl-, bromide
• N-[(4-Chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl]-N,N-diethylethanaminium bromide
• [(4-Chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl]triethylammonium bromide