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 4.269 3.403 2.5369 5.135 4.269 3.403 2 2.5369 5.672 5.135 1.06 -0.44 0.06 -0.44 0.06 -1.06 -0.25 0.68 -0.13 -1.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 42.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371800320000000000000000000000000000000000000000000000000000000000000000006001800000000000000000100006200000800000010000000000000020620000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 aminourea IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 aminourea IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 aminourea IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-azanylurea IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 aminourea InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 DUIOPKIIICUYRZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 75.043262 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 CH5N3O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 75.0699 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(N)NN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(N)NN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 81.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 75.043262 5 0 0 0 0 0 0 0 1 3