57369295 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 16 2 17 2 18 2 1 2 2 3 3 4 4 5 5 6 6 7 7 7 8 8 11 12 12 12 10 8 11 5 9 9 11 6 13 12 15 10 19 20 9 10 14 16 17 18 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 -1 5 9 4 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 5.7921 7.4672 4.8981 6.1582 4.155 3.2039 7.5242 6.6582 5.8492 6.6582 7.1582 2.4608 4.2839 7.5226 3.075 2 2.0459 2.8756 7.5242 8.0611 1.3244 -0.7634 -0.4544 -1.7145 -1.1235 -0.8145 1.3244 -0.1756 -0.7634 0.8244 -1.7145 -1.4836 -1.73 -2.216 -0.208 -1.8985 -1.0229 -1.9444 1.9444 1.0144 1 3 9 0 Compound Canonicalized 5 2012.05.21 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-[(trideuteriomethylamino)hydrazono]imidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[(trideuteriomethylamino)hydrazinylidene]-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[(trideuteriomethylamino)hydrazinylidene]imidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[(trideuteriomethylamino)hydrazinylidene]imidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[(trideuteriomethylamino)hydrazinylidene]imidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[(trideuteriomethylamino)hydrazono]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)/i1D3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KNZAVOVKKCNCEG-FIBGUPNXSA-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 2021.05.07 171.09478914 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H8N6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 171.18 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 [2H]C([2H])([2H])NNN=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 2021.05.07 171.09478914 12 0 0 0 1 0 1 3 1 -1