60867 -OEChem-10051722433D 33 34 0 1 0 0 0 0 0999 V2000 -6.7572 -0.6192 -0.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -1.2589 -0.3814 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -1.4283 -0.4013 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 0.6216 -0.1324 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6841 -0.4284 0.0416 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -2.3850 0.3716 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 2.1273 -0.3772 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 1.0234 0.4622 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9796 0.9754 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7851 -0.1091 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9313 0.8951 1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.0835 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5441 -0.4183 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7694 1.3539 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 -1.0096 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 1.5328 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 -0.8307 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 0.4406 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9591 -0.2241 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 -1.4187 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5232 1.0764 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 2.0041 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 1.2744 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7234 1.6574 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6007 1.6861 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 -0.0710 2.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 0.9787 2.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 -2.3926 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 2.2261 -0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 -2.0072 0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 2.5270 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 -1.7036 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 1.5605 -0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 5 19 2 0 0 0 0 6 20 3 0 0 0 0 7 21 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > DB12286 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WHXMKTBCFHIYNQ-UHFFFAOYSA-N/SDF?record_type=3d > CC1CC(O)=NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1 > InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21) > WHXMKTBCFHIYNQ-UHFFFAOYSA-N > C14H12N6O > 280.291 > 280.10725903 > 7 > 33 > 28.68286327160272 > 1 > 2 > 0 > 1 > 1-cyano-N-[4-(6-hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)phenyl]methanecarbohydrazonoyl cyanide > 2.87 > 2.583822286333333 > -3.35 > 0 > 2 > -1 > 6.477503028196283 > 4.762181367079061 > 0.4835058524469103 > 116.91999999999999 > 78.15250000000002 > 3 > 1 > 1.26e-01 g/l > 1-cyano-N-[4-(6-hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)phenyl]methanecarbohydrazonoyl cyanide > 0 $$$$