CAS 1609403-50-0

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 1,7-dihydro-2-methyl-7-oxo-, hydrate (1:1)

Description:

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 1,7-dihydro-2-methyl-7-oxo-, hydrate (1:1) is a heterocyclic compound characterized by its triazole and pyrimidine rings, which contribute to its unique chemical properties. This compound typically exhibits moderate solubility in polar solvents due to the presence of carboxylic acid functional groups, which can engage in hydrogen bonding. The hydrate form indicates that it contains water molecules in its structure, which can influence its stability and reactivity. The presence of the 1,7-dihydro and 2-methyl substituents suggests potential biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for various interactions, including potential coordination with metal ions or participation in enzymatic reactions. The compound's CAS number, 1609403-50-0, facilitates its identification in chemical databases, aiding in research and development applications. Overall, this substance is notable for its complex structure and potential utility in medicinal chemistry.

Formula: C₇H₆N₄O₃·H₂O

InChI: InChI=1S/C7H6N4O3.H2O/c1-3-9-7-8-2-4(6(13)14)5(12)11(7)10-3;/h2H,1H3,(H,13,14)(H,8,9,10);1H2

InChI key: InChIKey=MXTKMIGNZJSRBN-UHFFFAOYSA-N

SMILES: O=C1N2C(=NC=C1C(O)=O)NC(C)=N2.O

Synonyms:

• [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 1,7-dihydro-2-methyl-7-oxo-, hydrate (1:1)

2-Methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid hydrate

CAS: 1609403-50-0

Formula: C₇H₈N₄O₄

Purity: 95.0%

Color and Shape: Solid

Molecular weight: 212.165

Ref: 10-F360273