6763009 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 7 7 8 8 8 9 10 11 11 11 13 12 3 7 11 4 14 9 9 13 10 13 19 20 12 21 22 10 12 15 16 17 18 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 4 -1 3 9 5 10 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 5.921 3.3328 4.2839 5.027 6.2871 7.5961 2.5896 7.6531 5.9781 6.7871 3.1249 6.7871 7.2871 4.4128 3.7313 2.996 2.5184 7.6515 2 2.7186 7.6531 8.19 1.3972 -0.7416 -1.0507 -0.3815 -1.6416 -0.6906 -1.4108 1.3972 -0.6906 -0.1028 0.2365 0.8972 -1.6416 -1.6571 0.3654 0.8429 0.1076 -2.1432 -1.2192 -2.0172 2.0172 1.0872 1 4 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 304 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 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040300024200002801033134000000010000000020012000000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[amino(methyl)amino]hydrazono]imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[amino(methyl)amino]hydrazinylidene]-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[amino(methyl)amino]hydrazinylidene]imidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[amino(methyl)amino]hydrazinylidene]imidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[azanyl(methyl)amino]hydrazinylidene]imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[[amino(methyl)amino]hydrazono]imidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9N7O/c1-12(7)11-10-5-3(4(6)13)8-2-9-5/h2,11H,7H2,1H3,(H2,6,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PUEWRBAVTVQGEI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1 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(N)NN=C1C(=NC=N1)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(N)NN=C1C(=NC=N1)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 122 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