3241170 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 8 8 7 7 7 7 7 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 2 3 3 3 4 4 4 5 6 7 7 7 8 9 10 10 11 11 11 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 13 21 12 5 8 10 11 12 24 6 9 8 30 31 9 12 14 15 13 22 23 16 17 25 18 26 20 27 19 28 19 29 32 21 33 34 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 1 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 30 31 32 33 34 4.2281 4.9483 2.866 3.5471 2.057 2.366 4.6261 3.675 3.366 2.866 4.1349 3.9538 3.7281 2 3.732 2.75 2 3.732 2.866 2.6454 3.559 4.5656 4.6489 2.9305 1.4631 4.269 2.2892 1.4631 4.269 5.0868 4.755 2.866 2.1085 3.6879 4.0534 0.4468 -1.7966 1.4648 -1.2088 -0.2577 -1.5178 -1.2088 -0.2577 -2.7966 2.2738 0.5513 3.1874 -3.2966 -3.2966 3.3953 -4.2966 -4.2966 -4.7966 4.3898 4.7966 1.8279 2.6206 1.5296 -2.9866 -2.9866 2.9804 -4.6066 -4.6066 -1.1029 -2.1242 -5.4166 4.6998 5.403 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 6 8 10 10 13 14 15 16 17 18 20 13 21 5 8 6 9 9 14 15 16 17 18 20 19 19 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 361 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073B00000000000000000000000000000016240000030000000000000000001F000001E0018000000080CE1960631F492C80440AA01AF72F400820C272732001C9881AE7CC88E667AC4F5BB9739A8F4C613D8E9E79811020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-amino-N-(2-furylmethyl)-1-phenyl-triazole-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-amino-N-(2-furanylmethyl)-1-phenyl-4-triazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-amino-<I>N</I>-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-azanyl-N-(furan-2-ylmethyl)-1-phenyl-1,2,3-triazole-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-amino-N-(2-furfuryl)-1-phenyl-triazole-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H13N5O2/c15-13-12(14(20)16-9-11-7-4-8-21-11)17-18-19(13)10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IZSOBZCOTDKDMP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.10692467 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H13N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CO3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CO3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 99 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 283.10692467 21 0 0 0 0 0 0 0 1 -1