CAS 90993-88-7

1,2,4-Triazolo[4,3-c]pyrimidin-5(6H)-one

Description:

1,2,4-Triazolo[4,3-c]pyrimidin-5(6H)-one is a heterocyclic compound characterized by its fused triazole and pyrimidine rings. This compound features a triazole ring, which is a five-membered ring containing three nitrogen atoms, and a pyrimidine ring, which is a six-membered ring with two nitrogen atoms. The presence of the carbonyl group at the 5-position contributes to its reactivity and potential biological activity. It is typically a white to off-white solid, and its solubility can vary depending on the solvent used. This compound is of interest in medicinal chemistry due to its potential pharmacological properties, including antimicrobial and antitumor activities. The molecular structure allows for various substitutions, which can influence its biological activity and chemical properties. As with many heterocycles, it may exhibit interesting electronic properties and can participate in various chemical reactions, making it a valuable compound in research and development within the fields of pharmaceuticals and agrochemicals.

Formula: C₅H₄N₄O

InChI: InChI=1S/C5H4N4O/c10-5-6-2-1-4-8-7-3-9(4)5/h1-3H,(H,6,10)

InChI key: InChIKey=VNMKCHFGAZFWKI-UHFFFAOYSA-N

SMILES: O=C1N2C(C=CN1)=NN=C2

Synonyms:

• s-Triazolo[4,3-c]pyrimidin-5-ol
• [1,2,4]Triazolo[4,3-c]pyrimidin-5-ol
• 1,2,4-Triazolo[4,3-c]pyrimidin-5(6H)-one

5H,6H-[1,2,4]Triazolo[4,3-c]pyrimidin-5-one

CAS: 90993-88-7

5H,6H-[1,2,4]Triazolo[4,3-c]pyrimidin-5-one is a potent antitumor agent that is structurally similar to the cytotoxic agents mcf-7 and doxorubicin. It has been synthesized by the reaction of an enaminone with diazonium salt. The synthesis of 5H,6H-[1,2,4]Triazolo[4,3-c]pyrimidin-5-one has been carried out using a number of techniques including halide exchange reactions with amines and enaminones. This compound has been shown to be active against breast cancer cells in culture and induces apoptosis by interfering with DNA replication.

Formula: C₅H₄N₄O

Purity: Min. 95%

Molecular weight: 136.11 g/mol

Ref: 3D-QDA99388