68829 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 8 7 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 9 10 10 10 11 11 11 12 12 13 13 8 25 7 9 11 4 9 14 6 14 27 28 29 8 15 16 10 17 12 18 19 20 21 22 23 13 24 14 26 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 8 1 7 10 17 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 9.4651 6.8671 6.001 5.135 3.403 2.5369 7.7331 8.5991 6.001 8.5991 6.8671 5.135 4.269 4.269 7.3346 8.1316 8.5991 9.2191 8.5991 7.9791 7.4871 6.8671 6.2471 5.135 10.0021 3.732 3.403 2 2.5369 0.31 0.81 -0.69 -1.19 -1.19 -0.69 0.31 0.81 0.31 1.81 1.81 0.81 0.31 -0.69 -0.1649 -0.1649 0.19 1.81 2.43 1.81 1.81 2.43 1.81 1.43 0.62 0.62 -1.81 -1 -0.07 8 8 8 3 8 8 8 3 3 4 8 9 12 13 4 9 14 1 12 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 168 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073A0000000000000000000000000000000000000002C0000000000000000018000001E00180800000814E1920633B093620200A200226260009204022102021DB8203864988A3080408881048008501802D040000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(6-hydrazinopyridazin-3-yl)-methyl-amino]propan-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(6-hydrazinyl-3-pyridazinyl)-methylamino]-2-propanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(6-hydrazinylpyridazin-3-yl)-methylamino]propan-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(6-hydrazinylpyridazin-3-yl)-methylamino]propan-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(6-diazanylpyridazin-3-yl)-methyl-amino]propan-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[(6-hydrazinopyridazin-3-yl)-methyl-amino]propan-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H15N5O/c1-6(14)5-13(2)8-4-3-7(10-9)11-12-8/h3-4,6,14H,5,9H2,1-2H3,(H,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KYIAWOXNPBANEW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.12766012 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H15N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN(C)C1=NN=C(C=C1)NN)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN(C)C1=NN=C(C=C1)NN)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 87.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.12766012 14 1 0 1 0 0 0 0 1 -1