1H-Pyrazole-3,5-diamine (16082-33-0)

The CAS register number of 3,5-Diamino-1H-pyrazole is . It also can be called as 3,5-Diaminopyrazole and the IUPAC name about this chemical is 1H-pyrazole-3,5-diamine. The molecular formula about this chemical is C₃H₆N₄ and molecular weight is 98.11.

Physical properties about 3,5-Diamino-1H-pyrazole are: (1)ACD/LogP: -1.96; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 80.72Ų; (11)Index of Refraction: 1.771; (12)Molar Refractivity: 27.25 cm³; (13)Molar Volume: 65.54 cm³; (14)Polarizability: 10.803x10^-24cm³; (15)Surface Tension: 110.916 dyne/cm; (16)Enthalpy of Vaporization: 75.035 kJ/mol; (17)Boiling Point: 484.95 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c([nH]nc1N)N
(2)InChI: InChI=1/C3H6N4/c4-2-1-3(5)7-6-2/h1H,(H5,4,5,6,7)
(3)InChIKey: KGBBJPZIDRELDP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C3H6N4/c4-2-1-3(5)7-6-2/h1H,(H5,4,5,6,7)
(5)Std. InChIKey: KGBBJPZIDRELDP-UHFFFAOYSA-N