55289174 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 7 7 7 7 7 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 10 9 7 10 8 10 6 8 9 12 13 14 15 8 9 11 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 4 -1 6 8 3 7 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 3.6916 5.3667 4.0576 2.7976 5.4237 2.5896 4.5576 3.7486 4.5576 5.0576 5.4221 5.4237 5.9606 2 3.0504 1.2094 -0.8784 -1.8294 -0.5693 1.2094 0.4088 -0.2906 -0.8784 0.7094 -1.8294 -2.331 1.8294 0.8994 0.6004 0.8237 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 250 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 000003718063A000000000000000000000000000000100000000000000000000000000000000001E001800000008080180040100024200002801033134000000010000000000012000000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-hydrazinylideneimidazole-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-hydrazinylidene-4-imidazolecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>E</I>)-5-hydrazinylideneimidazole-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-hydrazinylideneimidazole-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-diazanylideneimidazole-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5E)-5-hydrazonoimidazole-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H5N5O/c5-3(10)2-4(9-6)8-1-7-2/h1H,6H2,(H2,5,10)/b9-4+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CJWSMGVHUQBQBR-RUDMXATFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 139.04940980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H5N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 139.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=NC(=NN)C(=N1)C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=N/C(=N/N)/C(=N1)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 139.04940980 10 0 0 0 1 1 0 0 1 -1