1088600 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 30 31 32 33 34 35 8 8 7 7 7 7 6 6 6 6 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 1 1 2 3 3 3 4 4 4 5 5 7 7 8 9 9 9 10 11 11 12 14 14 15 15 15 16 17 17 18 18 19 19 20 21 21 21 16 21 13 6 7 15 13 14 25 6 8 8 11 10 10 12 13 22 12 23 24 16 17 26 27 28 18 19 29 20 30 20 31 32 33 34 35 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 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 30 31 32 33 34 35 2.866 5.4641 9.0084 4.5981 9.0084 9.592 8.0622 8.0622 6.3301 7.1962 7.1962 6.3301 5.4641 3.732 9.3191 2.866 3.732 2 2.866 2 2 7.1962 7.1962 5.7932 4.5981 9.9084 9.5117 8.7297 4.269 1.4631 2.866 1.4631 2.31 1.4631 1.69 0.8724 -1.6276 1.1771 -0.1276 -0.4324 0.3724 0.8724 -0.1276 -0.1276 -0.6276 1.3724 0.8724 -0.6276 -0.6276 2.1276 -0.1276 -1.6276 -0.6276 -2.1276 -1.6276 1.3724 -1.2476 1.9924 1.1824 0.4924 1.935 2.717 2.3202 -1.9376 -0.3176 -2.7476 -1.9376 1.9093 1.6824 0.8354 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 7 7 8 9 9 11 14 14 16 17 18 19 6 7 6 8 8 11 10 10 12 12 16 17 18 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 379 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073B00000000000000000000000000000016000000030600000000000005801F400001E00180000000C0C819E0632C6B2C80400AA0325725400820C0425B20018D8213F7CD80E66B2C4B59B95312864D411D8E9879CC9009E08000040000010201000008000002040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyphenyl)-1-methyl-5-benzotriazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyphenyl)-1-methylbenzotriazole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyphenyl)-1-methyl-benzotriazole-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PNMQAMJBTQULHL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.11167570 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)N=N1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)N=N1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.11167570 21 0 0 0 0 0 0 0 1 -1