6813036 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 7 7 7 7 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 6 6 8 8 8 9 9 9 10 10 10 11 12 13 3 9 10 4 14 11 7 11 7 12 13 21 22 15 16 17 18 19 20 12 13 2 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 -1 3 11 5 12 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 5.3314 2.7431 3.6942 4.4374 5.6974 7.0064 6.6974 7.0634 2 2.5352 5.3884 6.1974 6.1974 3.8231 1.5851 1.5392 2.4149 3.1417 2.4063 1.9288 7.0634 7.6004 1.2172 -0.9217 -1.2307 -0.5616 -1.8217 -0.8706 -1.8217 1.2172 -1.5908 0.0564 -0.8706 -0.2828 0.7172 -1.8372 -1.1301 -2.0057 -2.0516 0.1853 0.6629 -0.0725 1.8372 0.9072 1 4 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 302 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040300024200002A01033030000000000000000020012800000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(dimethylaminohydrazono)triazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(dimethylaminohydrazinylidene)-4-triazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(dimethylaminohydrazinylidene)triazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(dimethylaminohydrazinylidene)triazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(dimethylaminohydrazinylidene)-1,2,3-triazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(dimethylaminohydrazono)triazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9N7O/c1-12(2)11-9-5-3(4(6)13)7-10-8-5/h11H,1-2H3,(H2,6,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZIRBGTSCCJYILY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.08685794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H9N7O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.17 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)NN=C1C(=NN=N1)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)NN=C1C(=NN=N1)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.08685794 13 0 0 0 1 0 1 0 1 -1