CAS 10179-85-8

3-Methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine

Description:

3-Methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine is a heterocyclic compound characterized by a fused triazole and pyrimidine ring system. This compound features a methyl group at the 3-position of the triazole ring, which influences its chemical reactivity and properties. It is typically a crystalline solid, exhibiting stability under standard conditions. The presence of nitrogen atoms in both the triazole and pyrimidine rings contributes to its potential as a ligand in coordination chemistry and its utility in medicinal chemistry, particularly in the development of pharmaceuticals. The compound may exhibit various biological activities, including antimicrobial and antitumor properties, making it of interest in drug discovery. Its solubility can vary depending on the solvent, and it may participate in hydrogen bonding due to the presence of nitrogen atoms. Overall, 3-Methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine is a versatile compound with significant implications in both synthetic and medicinal chemistry.

Formula: C₅H₅N₅

InChI: InChI=1S/C5H5N5/c1-10-5-4(8-9-10)2-6-3-7-5/h2-3H,1H3

InChI key: InChIKey=RKXXJDMRDUQTLA-UHFFFAOYSA-N

SMILES: CN1C=2C(=CN=CN2)N=N1

Synonyms:

• 3H-v-Triazolo[4,5-d]pyrimidine, 3-methyl-
• 3-Methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine
• 9-Methyl-8-azapurine
• 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 3-methyl-