The systematic name of this chemical is [1,2,4]Triazolo[1,5-a]pyrimidine-5,7(1H,6H)-dione. The CAS registry number is 211733-06-1. In addition, the molecular formula is C5H4N4O2 and the molecular weight is 152.03. What's more, it should be stored in sealed container, and put them in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -2.37; (2)ACD/LogD (pH 5.5): -2.37; (3)ACD/LogD (pH 7.4): -2.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.22; (7)ACD/KOC (pH 7.4): 1.22; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)Polar Surface Area: 65.34 Å2; (11)Index of Refraction: 1.908; (12)Molar Refractivity: 35.3 cm3; (13)Molar Volume: 75.4 cm3; (14)Polarizability: 13.99 ×10-24cm3; (15)Surface Tension: 107 dyne/cm; (16)Density: 2.01 g/cm3; (17)Flash Point: 107.9 °C; (18)Enthalpy of Vaporization: 49.23 kJ/mol; (19)Boiling Point: 254.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0168 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N1C(\N=C/N1)=N/C(=O)C2
(2)InChI: InChI=1/C5H4N4O2/c10-3-1-4(11)9-5(8-3)6-2-7-9/h2H,1H2,(H,6,7,8,10)
(3)InChIKey: HIPUIIULBPMUGO-UHFFFAOYAM
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