5351166 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 18 19 20 15 16 17 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 9 5 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 5.3314 2.7431 3.6942 4.4374 5.6974 7.0064 7.0634 5.3884 6.1974 2 2.5352 6.1974 6.6974 3.8231 3.1417 2.4063 1.9288 1.5851 1.5392 2.4149 7.0618 7.0634 7.6004 1.2172 -0.9217 -1.2307 -0.5616 -1.8217 -0.8706 1.2172 -0.8706 -0.2828 -1.5908 0.0564 0.7172 -1.8217 -1.8372 0.1853 0.6629 -0.0725 -1.1301 -2.0057 -2.0516 -2.3233 1.8372 0.9072 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 302 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040300024200002801033134000000010000000020012800000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (5Z)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 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 1.0.3 InChI nist.gov 2011.09.13 OMJKFYKNWZZKTK-POHAHGRESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.091609 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H10N6O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.1832 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)NN=C1C(=NC=N1)C(=O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CN(C)N/N=C\1/C(=NC=N1)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 95.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.091609 13 0 0 0 1 1 0 0 1 9