CAS 80772-98-1

6-Nitro[1,2,4]triazolo[1,5-a]pyrimidine

Description:

6-Nitro[1,2,4]triazolo[1,5-a]pyrimidine is a heterocyclic compound characterized by its fused triazole and pyrimidine rings, which contribute to its unique chemical properties. The presence of a nitro group at the 6-position enhances its reactivity and potential for various chemical transformations. This compound typically exhibits a solid-state form and is soluble in polar organic solvents, making it suitable for various applications in organic synthesis and medicinal chemistry. Its structural features allow for potential interactions with biological targets, which may lead to pharmacological activities. The compound's stability is influenced by the electronic effects of the nitro group and the aromatic nature of the triazole and pyrimidine rings. Additionally, it may participate in hydrogen bonding and π-π stacking interactions, which are relevant in biological systems. Overall, 6-Nitro[1,2,4]triazolo[1,5-a]pyrimidine is of interest for its potential applications in drug development and as a building block in the synthesis of more complex molecules.

Formula: C₅H₃N₅O₂

InChI: InChI=1S/C5H3N5O2/c11-10(12)4-1-6-5-7-3-8-9(5)2-4/h1-3H

InChI key: InChIKey=OMTKLMWAALSLPG-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CN2C(N=C1)=NC=N2

Synonyms:

• 6-Nitro[1,2,4]triazolo[1,5-a]pyrimidine
• [1,2,4]Triazolo[1,5-a]pyrimidine, 6-nitro-