7956 1 2 3 4 5 6 7 8 9 10 11 12 8 8 8 7 7 7 6 6 6 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 8 9 7 8 10 7 9 11 8 9 12 2 2 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 3.732 5.4641 2 4.5981 2.866 3.732 3.732 4.5981 2.866 5.135 2.3291 3.732 1.81 -1.19 -1.19 0.31 0.31 -1.19 0.81 -0.69 -0.69 0.62 0.62 -1.81 8 8 8 8 8 8 4 4 5 5 6 6 7 8 7 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 136 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 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 00000371004330000000000000000000000000000000000000002C0000000000000000000000000600100000000000000000010002C000000800000010000000000000000000000000008000000000000000000801200000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3,5-triazinane-2,4,6-trione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3,5-triazinane-2,4,6-trione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3,5-triazinane-2,4,6-trione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3,5-triazinane-2,4,6-trione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 isocyanuric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZFSLODLOARCGLH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 129.017441 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H3N3O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 129.07422 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1(=O)NC(=O)NC(=O)N1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1(=O)NC(=O)NC(=O)N1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 87.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 129.017441 9 0 0 0 0 0 0 0 1 5