5469190 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 8 7 7 7 7 7 7 7 6 6 6 6 6 6 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 8 8 9 9 12 12 12 13 14 14 14 11 3 8 12 4 15 10 11 14 16 9 13 10 13 24 25 10 11 17 18 19 20 21 22 23 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 4 -1 3 10 9 7 2 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 5.921 3.3328 4.2839 5.027 7.6531 7.5961 6.2871 2.5896 6.7871 5.9781 6.7871 3.1249 7.2871 7.6531 4.4128 8.19 3.7313 2.996 2.5184 7.6515 8.2731 7.6531 7.0331 2 2.7186 1.2072 -0.9316 -1.2407 -0.5715 1.2072 -0.8806 -1.8316 -1.6008 -0.2928 -0.8806 0.7072 0.0465 -1.8316 2.2072 -1.8471 0.8972 0.1754 0.6529 -0.0824 -2.3332 2.2072 2.8272 2.2072 -1.4092 -2.2072 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 318 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E00180000000808018004030002C200002801033134000000010000000020812800000000080040000400000002000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z)-5-[[amino(methyl)amino]hydrazono]-N-methyl-imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z)-5-[[amino(methyl)amino]hydrazinylidene]-N-methyl-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>Z</I>)-5-[[amino(methyl)amino]hydrazinylidene]-<I>N</I>-methylimidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z)-5-[[amino(methyl)amino]hydrazinylidene]-N-methylimidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z)-5-[[azanyl(methyl)amino]hydrazinylidene]-N-methyl-imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z)-5-[[amino(methyl)amino]hydrazono]-N-methyl-imidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H11N7O/c1-8-6(14)4-5(10-3-9-4)11-12-13(2)7/h3,12H,7H2,1-2H3,(H,8,14)/b11-5- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BYIGNVOKEHUFTL-WZUFQYTHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.10250800 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H11N7O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNC(=O)C1=NC=NC1=NNN(C)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC(=O)C\1=NC=N/C1=N\NN(C)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 2021.05.07 197.10250800 14 0 0 0 1 1 0 0 1 -1