93249-62-8 Purity
96%
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The molecular formula is C4H5N3O2.
Another name for it is 6-Azathymine.
The molecular weight is 127.10 g/mol.
The IUPAC name is 6-methyl-2H-1,2,4-triazine-3,5-dione.
The InChI is InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9).
The InChIKey is XZWMZFQOHTWGQE-UHFFFAOYSA-N.
The canonical SMILES is CC1=NNC(=O)NC1=O.
The CAS number is 932-53-6.
The molecular weight is 127.10 g/mol according to PubChem 2.2.
It has 2 hydrogen bond donor counts and 3 hydrogen bond acceptor counts.
Reference: [1]Journal of Organic Chemistry,1958,vol. 23,p. 1951
Reference: [1]Journal of the American Chemical Society,1956,vol. 78,p. 1938,1939
* For details of the synthesis route, please refer to the original source to ensure accuracy.