5526432 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 4 5 6 6 7 7 8 8 8 9 10 10 10 11 12 12 12 14 13 3 4 10 5 15 12 16 9 9 14 11 14 13 24 25 11 17 18 19 13 20 21 22 23 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 -1 3 9 6 11 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 5.7472 3.6942 4.6453 2.9511 4.8532 6.1132 7.4223 7.4793 5.8042 3.4863 6.6132 2 6.6132 7.1132 5.106 3.08 4.0927 3.3574 2.8798 2.1916 1.4103 1.8084 7.4777 7.4793 8.0162 1.2094 0.7178 0.4088 0.0487 -0.5693 -1.8294 -0.8784 1.2094 -0.8784 1.696 -0.2906 0.3577 0.7094 -1.8294 0.8237 -0.5578 1.8249 2.3024 1.5671 0.9474 0.5493 -0.232 -2.331 1.8294 0.8994 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040300026200002801033134000000010000000020812000000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[[methyl(methylamino)amino]hydrazono]imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[[methyl(methylamino)amino]hydrazinylidene]-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>)-5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[[methyl(methylamino)amino]hydrazinylidene]imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-[[methyl(methylamino)amino]hydrazono]imidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H11N7O/c1-8-13(2)12-11-6-4(5(7)14)9-3-10-6/h3,8,12H,1-2H3,(H2,7,14)/b11-6+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CHJMXCWMQDCOMH-IZZDOVSWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.5 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 CNN(C)NN=C1C(=NC=N1)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNN(C)N/N=C/1\C(=NC=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 2021.05.07 197.10250800 14 0 0 0 1 1 0 0 1 -1