7741 -OEChem-10051719113D 17 17 0 0 0 0 0 0 0999 V2000 0.9785 1.0204 -0.1396 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 0.0561 0.1403 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 0.7724 0.2078 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 -0.0463 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -0.1046 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1191 0.0236 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -1.1602 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 -0.5613 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 0.8219 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -0.9352 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8975 0.9169 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9559 -0.8421 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 -2.2110 -0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6891 1.9848 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 -1.0412 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -0.7697 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 0.8554 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 M END > DB00272 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JXDFEQONERDKSS-UHFFFAOYSA-N/SDF?record_type=3d > NCCC1=CC=NN1 > InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8) > JXDFEQONERDKSS-UHFFFAOYSA-N > C5H9N3 > 111.1451 > 111.079647303 > 2 > 17 > 0.998458730163881 > 11.960527014812232 > 1 > 2 > 0 > 0 > 2-(1H-pyrazol-5-yl)ethan-1-amine > -0.64 > -0.6168408933333334 > 0.15 > 0 > 1 > 1 > 1 > 14.517150194842134 > 9.794893169468306 > 54.7 > 32.9617 > 2 > 1 > 1.56e+02 g/l > tetrahydrofolic acid > 0 $$$$