The 2-Amino-8-bromo[1,2,4]triazolo[1,5-a]pyridine, with the CAS registry number 1124382-72-4, is also known as [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 8-bromo-. This chemical's molecular formula is C6H5BrN4 and molecular weight is 213.03. What's more, its systematic name is 8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
Physical properties of 2-Amino-8-bromo[1,2,4]triazolo[1,5-a]pyridine are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.183; (4)ACD/LogD (pH 7.4): 1.193; (5)ACD/BCF (pH 5.5): 4.637; (6)ACD/BCF (pH 7.4): 4.749; (7)ACD/KOC (pH 5.5): 103.645; (8)ACD/KOC (pH 7.4): 106.152; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.21 Å2; (13)Index of Refraction: 1.831; (14)Molar Refractivity: 44.63 cm3; (15)Molar Volume: 101.56 cm3; (16)Polarizability: 17.693×10-24cm3; (17)Surface Tension: 76.913 dyne/cm; (18)Density: 2.098 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c2nc(nn2c1)N)B
(2)InChI: InChI=1S/C6H5BrN4/c7-4-2-1-3-11-5(4)9-6(8)10-11/h1-3H,(H2,8,10)
(3)InChIKey: SUFKKFLJJMKVJJ-UHFFFAOYSA-N
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