6796974 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 7 7 7 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 7 8 8 11 12 12 12 10 8 11 9 11 5 9 6 14 12 15 10 19 20 9 10 13 16 17 18 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 -1 5 9 3 8 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 5.3314 7.0064 5.6974 4.4374 3.6942 2.7431 7.0634 6.1974 5.3884 6.1974 6.6974 2 7.0618 3.8231 2.6142 1.5851 1.5392 2.4149 7.0634 7.6004 1.2172 -0.8706 -1.8217 -0.5616 -1.2307 -0.9217 1.2172 -0.2828 -0.8706 0.7172 -1.8217 -1.5908 -2.3233 -1.8372 -0.3153 -1.1301 -2.0057 -2.0516 1.8372 0.9072 1 4 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 278 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 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 00000371C063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040300026200002801033134000000010000020020812000000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(methylaminohydrazono)imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(methylaminohydrazinylidene)-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(methylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(methylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(methylaminohydrazinylidene)imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-(methylaminohydrazono)imidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2,7,11H,1H3,(H2,6,12) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KNZAVOVKKCNCEG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 168.07595890 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H8N6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 168.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNNN=C1C(=NC=N1)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNNN=C1C(=NC=N1)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 168.07595890 12 0 0 0 1 0 1 0 1 -1