(R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

The IUPAC name of 3(2H)-Pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (5R)- is (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one. With the CAS registry number 101328-85-2, it is also named as 6-(4-Amino-phenyl)-5-methyl-4,5-dihydro-2H-pyridazin-3-one. The product's categories are Intermediate of Levosimendan; Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. Besides, it is pale yellow solid that is used as a metabolite of levosimendan and pharmaceutical intermediate. In addition, its molecular formula is C₁₁H₁₃N₃O and its molecular weight is 203.24.

The other characteristics of 3(2H)-Pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (5R)- can be summarized as: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.48 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 56.829 cm³; (15)Molar Volume: 155.265 cm³; (16)Polarizability: 22.529×10^-24cm³; (17)Surface Tension: 50.695 dyne/cm; (18)Density: 1.309 g/cm³; (19)Melting Point: 206-208 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2N/N=C(/c1ccc(N)cc1)[C@H](C)C2
(2)InChI: InChI=1/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
(3)InChIKey: GDMRFHZLKNYRRO-SSDOTTSWBK
(4)Std. InChI: InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
(5)Std. InChIKey: GDMRFHZLKNYRRO-SSDOTTSWSA-N