6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C60H45BBrCl3F3N15O2 — CID 157267754

About 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 157267754) has the molecular formula C60H45BBrCl3F3N15O2 and a molecular weight of 1262.19 g/mol. Its IUPAC name is 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 157267754
• Molecular Formula: C60H45BBrCl3F3N15O2
• Molecular Weight: 1262.19 g/mol
• Exact Mass: 1259.22
• IUPAC Name: 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: CC1(C)OB(c2ccc3nccc(Cl)c3c2)OC1(C)C.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(Br)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/2C18H11ClFN5.C15H17BClNO2.C9H6BrFN4/c2*19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10;1-14(2)15(3,4)20-16(19-14)10-5-6-13-11(9-10)12(17)7-8-18-13;10-8-7(13-9(12)15-14-8)5-1-3-6(11)4-2-5/h2*1-9H,(H2,21,23,25);5-9H,1-4H3;1-4H,(H2,12,13,15)
• InChIKey: AYENEMLAHFKAEO-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 251.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.19
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 157267754) is 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CC1(C)OB(c2ccc3nccc(Cl)c3c2)OC1(C)C.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(-c2ccc3nccc(Cl)c3c2)c(-c2ccc(F)cc2)n1.Nc1nnc(Br)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is AYENEMLAHFKAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11ClFN5.C15H17BClNO2.C9H6BrFN4/c2*19-14-7-8-22-15-6-3-11(9-13(14)15)17-16(23-18(21)25-24-17)10-1-4-12(20)5-2-10;1-14(2)15(3,4)20-16(19-14)10-5-6-13-11(9-10)12(17)7-8-18-13;10-8-7(13-9(12)15-14-8)5-1-3-6(11)4-2-5/h2*1-9H,(H2,21,23,25);5-9H,1-4H3;1-4H,(H2,12,13,15).

What are the key properties of 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1262.19 g/mol, XLogP of 13.47, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 157267754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).