1,2,4-Triazolo[4,3-a]pyrazine,8-chloro- (68774-77-6)

The 8-Chlorotriazolo[4,3-a]pyrazine with the cas number 68774-77-6 is also called 1,2,4-Triazolo[4,3-a]pyrazine,8-chloro-. The systematic name is 8-chloro[1,2,4]triazolo[4,3-a]pyrazine. Its molecular formula is C₅H₃ClN₄. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.08 Å²; (13)Index of Refraction: 1.792; (14)Molar Refractivity: 38.204 cm³; (15)Molar Volume: 90.069 cm³; (16)Polarizability: 15.145×10^-24cm³; (17)Surface Tension: 69.494 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2cnnc2c(n1)Cl
(2)InChI: InChI=1/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H
(3)InChIKey: VKZJRJVVFDDJKP-UHFFFAOYAV