The 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl-, with the CAS registry number 13274-43-6, is also known as 4-Methyl-3H-1, 2, 4-triazole-3, 5(4H)-dione. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Triazoles. This chemical's molecular formula is C₃H₃N₃O₂ and molecular weight is 113.07. What's more, its IUPAC name is 4-Methyl-1, 2, 4-triazole-3, 5-dione.

Physical properties about 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl- are: (1)ACD/LogP: -2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.93; (8)ACD/KOC (pH 7.4): 1.93; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 62.1 Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 25.39 cm³; (15)Molar Volume: 65.8 cm³; (16)Polarizability: 10.06×10^-24 cm³; (17)Surface Tension: 73.4 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 36.9 °C; (20)Enthalpy of Vaporization: 37.48 kJ/mol; (21)Boiling Point: 137.5 °C at 760 mmHg; (22)Vapour Pressure: 7.04 mmHg at 25 °C.

Preparation of 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl-: this chemical is prepared by 4-Methyl-[1, 2, 4]triazolidine-3, 5-dione. This reaction needs reagents H₅IO₆; NaNO₂; SiO₂. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 1.5 hours with reaction temperature of 20 °C. The yield is about 100 %.

Uses of 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl-: it is used to produce other chemicals. For example, it is used to produce C₂₂H₂₆N₆O₄ at ambient temperature. The yield is about 72 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\N=N/C(=O)N1C
(2) InChI: InChI=1/C3H3N3O2/c1-6-2(7)4-5-3(6)8/h1H3
(3) InChIKey: XRYKNRLGZZNWEE-UHFFFAOYAL