1H-1,2,4-Triazole-3,5-diamine sulfate (2:1) (92278-55-2)

The 1H-1,2,4-Triazole-3,5-diamine sulfate (2:1), with the CAS registry number 92278-55-2, is also known as 3,5-Diamino-1,2,4-triazole Sulfate (2:1). This chemical's molecular formula is 2(C₂H₅N₅)·H₂SO₄ and molecular weight is 296.26. What's more, its systematic name is called 4H-1,2,4-Triazole-3,5-diamine sulfate (1:1).

Physical properties about 1H-1,2,4-Triazole-3,5-diamine sulfate (2:1) are: (1) # of Rule of 5 Violations: 1; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1; (5) ACD/KOC (pH 7.4): 1; (6) #H bond acceptors: 9; (7) #H bond donors: 7; (8) #Freely Rotating Bonds: 0; (9) Polar Surface Area: 176.59 Å²; (10) Flash Point: 377.4 °C; (11) Enthalpy of Vaporization: 107.66 kJ/mol; (12) Boiling Point: 700.4 °C at 760 mmHg; (13) Vapour Pressure: 1.37E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(O)(O)=O.Nc1nc(N)nn1
(2) InChI: InChI=1/C2H5N5.H2O4S/c3-1-5-2(4)7-6-1;1-5(2,3)4/h(H5,3,4,5,6,7);(H2,1,2,3,4)
(3) InChIKey: RYTIYGVHKPCJDX-UHFFFAOYAZ