dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride

C113H132BBr2Cl2Cs2F5N28O8 — CID 161155266

About dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride

dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride (PubChem CID 161155266) has the molecular formula C113H132BBr2Cl2Cs2F5N28O8 and a molecular weight of 2612.81 g/mol. Its IUPAC name is dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride.

Molecular Properties

• Compound Name: dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride
• PubChem CID: 161155266
• Molecular Formula: C113H132BBr2Cl2Cs2F5N28O8
• Molecular Weight: 2612.81 g/mol
• Exact Mass: 2608.66
• IUPAC Name: dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride
• SMILES: CCC1CCCCC1.CN(c1nc2c(F)cc(Br)cc2[n+]([O-])n1)C1CCCCC1.Cc1cc(-c2cc(F)c3nc(N(C)C4CCCCC4)n[n+]([O-])c3c2)cc2cn(C)nc12.Cc1cc(-c2cc(F)c3nc(N(C)C4CCCCC4)nnc3c2)cc2cn(C)nc12.Cc1cc(-c2cc(F)c3nc(N(C)C4CCNCC4)nnc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Cl.O=CO[O-].[Cs+].[Cs+].[H-].[O-][n+]1nc(Cl)nc2c(F)cc(Br)cc21
• InChI: InChI=1S/C23H25FN6O.C23H25FN6.C22H24FN7.C15H21BN2O2.C14H16BrFN4O.C8H16.C7H2BrClFN3O.CH2O3.ClH.2Cs.H/c1-14-9-15(10-17-13-28(2)26-21(14)17)16-11-19(24)22-20(12-16)30(31)27-23(25-22)29(3)18-7-5-4-6-8-18;1-14-9-15(10-17-13-29(2)28-21(14)17)16-11-19(24)22-20(12-16)26-27-23(25-22)30(3)18-7-5-4-6-8-18;1-13-8-14(9-16-12-29(2)28-20(13)16)15-10-18(23)21-19(11-15)26-27-22(25-21)30(3)17-4-6-24-7-5-17;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;1-19(10-5-3-2-4-6-10)14-17-13-11(16)7-9(15)8-12(13)20(21)18-14;1-2-8-6-4-3-5-7-8;8-3-1-4(10)6-5(2-3)13(14)12-7(9)11-6;2-1-4-3;;;;/h9-13,18H,4-8H2,1-3H3;9-13,18H,4-8H2,1-3H3;8-12,17,24H,4-7H2,1-3H3;7-9H,1-6H3;7-8,10H,2-6H2,1H3;8H,2-7H2,1H3;1-2H;1,3H;1H;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: HXOKOKKWZAMXDY-UHFFFAOYSA-M
• XLogP: 14.93
• TPSA: 399.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.81
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride?

The IUPAC name of dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride (CID 161155266) is dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride.

What is the SMILES notation for dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride?

The canonical SMILES for dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride is CCC1CCCCC1.CN(c1nc2c(F)cc(Br)cc2[n+]([O-])n1)C1CCCCC1.Cc1cc(-c2cc(F)c3nc(N(C)C4CCCCC4)n[n+]([O-])c3c2)cc2cn(C)nc12.Cc1cc(-c2cc(F)c3nc(N(C)C4CCCCC4)nnc3c2)cc2cn(C)nc12.Cc1cc(-c2cc(F)c3nc(N(C)C4CCNCC4)nnc3c2)cc2cn(C)nc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn(C)nc12.Cl.O=CO[O-].[Cs+].[Cs+].[H-].[O-][n+]1nc(Cl)nc2c(F)cc(Br)cc21.

What is the InChIKey of dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride?

The InChIKey is HXOKOKKWZAMXDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25FN6O.C23H25FN6.C22H24FN7.C15H21BN2O2.C14H16BrFN4O.C8H16.C7H2BrClFN3O.CH2O3.ClH.2Cs.H/c1-14-9-15(10-17-13-28(2)26-21(14)17)16-11-19(24)22-20(12-16)30(31)27-23(25-22)29(3)18-7-5-4-6-8-18;1-14-9-15(10-17-13-29(2)28-21(14)17)16-11-19(24)22-20(12-16)26-27-23(25-22)30(3)18-7-5-4-6-8-18;1-13-8-14(9-16-12-29(2)28-20(13)16)15-10-18(23)21-19(11-15)26-27-22(25-21)30(3)17-4-6-24-7-5-17;1-10-7-12(8-11-9-18(6)17-13(10)11)16-19-14(2,3)15(4,5)20-16;1-19(10-5-3-2-4-6-10)14-17-13-11(16)7-9(15)8-12(13)20(21)18-14;1-2-8-6-4-3-5-7-8;8-3-1-4(10)6-5(2-3)13(14)12-7(9)11-6;2-1-4-3;;;;/h9-13,18H,4-8H2,1-3H3;9-13,18H,4-8H2,1-3H3;8-12,17,24H,4-7H2,1-3H3;7-9H,1-6H3;7-8,10H,2-6H2,1H3;8H,2-7H2,1H3;1-2H;1,3H;1H;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride?

dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride has a molecular weight of 2612.81 g/mol, XLogP of 14.93, 14 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;7-bromo-3-chloro-5-fluoro-1-oxido-1,2,4-benzotriazin-1-ium;7-bromo-N-cyclohexyl-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1,2,4-benzotriazin-3-amine;N-cyclohexyl-7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine;7-(2,7-dimethylindazol-5-yl)-5-fluoro-N-methyl-N-piperidin-4-yl-1,2,4-benzotriazin-3-amine;2,7-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;ethylcyclohexane;hydride;oxido formate;hydrochloride is sourced from PubChem (CID 161155266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).