588 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 7 7 7 6 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 5 8 8 8 7 5 6 8 6 7 6 14 15 7 9 10 11 12 13 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2 3.0878 3.5878 4.8479 2.2788 3.8968 2.5878 3.0878 1.7124 1.9688 2.4678 3.0878 3.7078 5.3086 4.9768 1.6739 -0.6739 0.8649 -0.3952 -0.0861 -0.0861 0.8649 -1.6739 0.166 -0.6231 -1.6739 -2.2939 -1.6739 0.0197 -1.0016 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 151 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180632000000000000000000000000000000100000000000000000000000000000000001E00100000000000C180040300034000002800011034000000010000000100008800008040000008201000000000020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-methyl-4H-imidazol-5-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-methyl-4H-imidazol-5-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-methyl-4<I>H</I>-imidazol-5-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-methyl-4H-imidazol-5-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanyl-3-methyl-4H-imidazol-5-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-1-methyl-2-imidazolin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DDRJAANPRJIHGJ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 113.058911855 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H7N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 113.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CC(=O)N=C1N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN1CC(=O)N=C1N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 113.058911855 8 0 0 0 0 0 0 0 1 -1