735660 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 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 6 7 7 7 8 8 8 9 9 10 10 12 12 13 14 14 15 15 16 16 17 9 10 11 7 8 11 5 11 12 6 13 9 18 19 10 20 21 22 23 24 25 13 14 15 16 26 17 27 17 28 29 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 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 7.9244 4.3211 5.9674 4.6783 5.2619 4.6783 6.6353 6.2781 7.6138 7.2566 4.9889 3.732 3.732 2.866 2.866 2 2 6.1089 6.8665 6.2575 5.6643 7.6344 8.2276 7.783 7.0254 2.866 2.866 1.4631 1.4631 1.3148 1.4404 0.9024 -0.2544 -1.0591 -1.8638 0.1581 1.8529 0.3643 2.0591 0.6961 -0.5591 -1.5591 -0.0591 -2.0591 -0.5591 -1.5591 -0.1696 -0.4172 2.4726 1.9402 -0.2554 0.2769 2.3867 2.6344 0.5609 -2.6791 -0.2491 -1.8691 8 8 8 8 8 8 8 8 8 8 4 4 5 6 12 12 13 14 15 16 5 12 6 13 13 14 15 16 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 293 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073B0000000000000000000000000000001600000003C400000000000005801F000001E00080000000808E1960631C0B3080400AA01246254008204042112001E98203874988A60A2C09191972008688602D8C8271000000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzotriazol-1-yl(morpholino)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-benzotriazolyl(4-morpholinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzotriazol-1-yl(morpholin-4-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzotriazol-1-yl(morpholin-4-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzotriazol-1-yl(morpholin-4-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 benzotriazol-1-yl(morpholino)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H12N4O2/c16-11(14-5-7-17-8-6-14)15-10-4-2-1-3-9(10)12-13-15/h1-4H,5-8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PBCRZPKNXYHOCP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 232.09602564 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H12N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 232.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(=O)N2C3=CC=CC=C3N=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1C(=O)N2C3=CC=CC=C3N=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 232.09602564 17 0 0 0 0 0 0 0 1 -1