3752 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 17 7 7 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 10 11 11 12 13 13 14 10 12 9 15 9 16 15 16 15 20 21 16 22 23 9 10 11 13 12 17 14 14 18 19 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 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 5.4641 2 6.3301 5.4641 7.1962 8.0622 6.3301 4.5981 5.4641 4.5981 3.732 2.866 3.732 2.866 7.1962 6.3301 3.732 3.732 2.3291 8.5991 8.0622 6.8671 5.7932 2.405 0.405 0.905 -0.595 -0.595 0.905 -2.095 0.905 0.405 1.905 0.405 0.905 2.405 1.905 0.405 -1.095 -0.215 3.025 2.215 0.595 1.525 -2.405 -2.405 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 8 8 10 11 12 13 9 15 9 16 15 16 10 11 13 12 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371807380000600000000000000000000000000000000003C400000000000000001C000001C02100000000C02811B20311086481000A002226224008280092005A00988202006988828A2819B118420086880020888071080000E00001020000100000000204000020000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-[2,5-bis(chloranyl)phenyl]-1,3,5-triazine-2,4-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [4-amino-6-(2,5-dichlorophenyl)-s-triazin-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ATCGGEJZONJOCL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 255.0078506 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H7Cl2N5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1Cl)C2=NC(=NC(=N2)N)N)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 90.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 255.0078506 16 0 0 0 0 0 0 0 1 -1