Product Name

7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine Specification

The CAS register number of 7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine is 723286-80-4. It also can be called as 1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-carboxylicacid, 3-bromo-5,6-dihydro-, 1,1-dimethylethyl ester and the IUPAC name about this chemical is tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate. The molecular formula about this chemical is C10H15BrN4O2 and molecular weight is 303.16. It belongs to the Chiral Chemicals.

Physical properties about 7-Boc-3-bromo-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.9; (5)ACD/BCF (pH 7.4): 3.9; (6)ACD/KOC (pH 5.5): 92.18; (7)ACD/KOC (pH 7.4): 92.19; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 60.25Å2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 67.32 cm3; (13)Molar Volume: 186.7 cm3; (14)Polarizability: 26.69x10-24cm3; (15)Surface Tension: 51.1 dyne/cm; (16)Enthalpy of Vaporization: 68.59 kJ/mol; (17)Boiling Point: 430.4 °C at 760 mmHg; (18)Vapour Pressure: 1.3E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1Cc2nnc(Br)n2CC1
(2)InChI: InChI=1/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-13-8(15)11/h4-6H2,1-3H3
(3)InChIKey: SSOWVJRCWPTTLK-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-13-8(15)11/h4-6H2,1-3H3
(5)Std. InChIKey: SSOWVJRCWPTTLK-UHFFFAOYSA-N

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