5353562 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 7 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 6 6 7 7 7 8 9 10 10 10 11 11 11 13 12 3 10 11 4 14 8 8 13 9 13 12 22 23 9 12 15 16 17 18 19 20 21 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 -1 3 8 5 9 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 4.7962 2.7431 3.6942 3.9021 5.1622 6.4712 6.5282 4.8532 5.6622 2 2.5352 5.6622 6.1622 4.155 1.5851 1.5392 2.4149 3.1417 2.4063 1.9288 6.5266 6.5282 7.0652 1.2094 0.7178 0.4088 -0.5693 -1.8294 -0.8784 1.2094 -0.8784 -0.2906 0.0487 1.696 0.7094 -1.8294 0.8237 0.5094 -0.3662 -0.4121 1.8249 2.3024 1.5671 -2.331 1.8294 0.8994 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 4 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 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040300024200002801033134000000010000000020012800000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-(dimethylaminohydrazono)imidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3,11H,1-2H3,(H2,7,13)/b10-6+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OMJKFYKNWZZKTK-UXBLZVDNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.09160896 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H10N6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)NN=C1C(=NC=N1)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(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 95.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.09160896 13 0 0 0 1 1 0 0 1 -1