93198 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 8 8 8 7 7 7 7 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 14 15 13 14 19 13 15 20 14 15 21 16 17 16 18 17 18 16 22 23 17 24 25 18 26 27 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 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 16 17 18 19 20 21 22 23 24 25 26 27 0.5369 2.269 4.001 1.403 2.269 3.135 2.269 1.403 3.135 0.5369 4.001 2.269 1.403 2.269 3.135 1.403 3.135 2.269 0.866 2.269 3.672 0.5369 0 4.538 4.001 1.732 2.8059 3 0 3 1.5 3 1.5 8.93 7.43 7.43 8.93 8.93 5.93 2.5 1 2.5 8.43 8.43 6.93 1.19 3.62 1.19 9.55 8.62 8.62 9.55 5.62 5.62 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 8 8 9 9 13 14 13 15 14 15 16 17 16 18 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 199 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 00000371C063F0000000000000000000000000000000000000002C5800000000000000018000000600100000000000000000011006C810002800000034000000090000800100000000008008000000000000000801200000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,5-triazinane-2,4,6-trione;1,3,5-triazine-2,4,6-triamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 isocyanuric acid;melamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZQKXQUJXLSSJCH-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 255.08283518 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H9N9O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 255.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=NC(=NC(=N1)N)N)N.C1(=O)NC(=O)NC(=O)N1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=NC(=NC(=N1)N)N)N.C1(=O)NC(=O)NC(=O)N1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 204 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 255.08283518 18 0 0 0 0 0 0 0 2 -1