The [1, 2, 4]Triazino[4, 3-b]indazol-4-amine, N, N-diethyl-3-phenyl-, with the CAS registry number 64781-61-9, is also known as NSC 305942. This chemical's molecular formula is C19H19N5 and molecular weight is 317.3877. What's more, its systematic name is N, N-Diethyl-3-phenyl[1, 2, 4]triazino[4, 3-b]indazol-4-amine.
Physical properties about [1, 2, 4]Triazino[4, 3-b]indazol-4-amine, N, N-diethyl-3-phenyl- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 46.32 Å2; (7)Index of Refraction: 1.671; (8)Molar Refractivity: 96.61 cm3; (9)Molar Volume: 258.3 cm3; (10)Polarizability: 38.3×10-24 cm3; (11)Surface Tension: 48.3 dyne/cm; (12)Density: 1.22 g/cm3; (13)Flash Point: 164.4 °C; (14)Enthalpy of Vaporization: 59.27 kJ/mol; (15)Boiling Point: 348.3 °C at 760 mmHg; (16)Vapour Pressure: 5.08E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c4c(c2nnc(c(n12)N(CC)CC)c3ccccc3)cccc4
(2) InChI: InChI=1/C19H19N5/c1-3-23(4-2)19-17(14-10-6-5-7-11-14)20-21-18-15-12-8-9-13-16(15)22-24(18)19/h5-13H,3-4H2,1-2H3
(3) InChIKey: DMBNUXGIDGQCNQ-UHFFFAOYAP
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