5196 1 2 3 4 5 6 7 8 9 10 8 7 7 7 6 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 3 5 6 7 8 5 9 10 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 3.403 4.269 5.135 2.5369 3.403 4.269 5.672 5.135 2 2.5369 -1.06 0.44 -0.06 0.44 -0.06 1.06 0.25 -0.68 0.13 1.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371800320000000000000000000000000000000000000000000000000000000000000000006001800000000000000000100006200000800000010000000000000020620000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminourea IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminourea IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminourea IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminourea IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-azanylurea IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminourea InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DUIOPKIIICUYRZ-UHFFFAOYSA-N Log P XLogP3-AA 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 75.043261792 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH5N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(N)NN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(N)NN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 81.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 75.043261792 5 0 0 0 0 0 0 0 1 -1