6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C68H66BBr2N19O6 — CID 158293900

About 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 158293900) has the molecular formula C68H66BBr2N19O6 and a molecular weight of 1416.02 g/mol. Its IUPAC name is 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 158293900
• Molecular Formula: C68H66BBr2N19O6
• Molecular Weight: 1416.02 g/mol
• Exact Mass: 1413.39
• IUPAC Name: 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.Cc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1.Cc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1.Cc1ccc(-c2nc(N)nnc2Br)o1.Cc1ccco1.Nc1ncc(Br)nn1
• InChI: InChI=1S/2C18H15N5O.C16H20BNO2.C8H7BrN4O.C5H6O.C3H3BrN4/c2*1-10-8-13(9-12-4-3-7-20-15(10)12)16-17(21-18(19)23-22-16)14-6-5-11(2)24-14;1-11-9-13(10-12-7-6-8-18-14(11)12)17-19-15(2,3)16(4,5)20-17;1-4-2-3-5(14-4)6-7(9)12-13-8(10)11-6;1-5-3-2-4-6-5;4-2-1-6-3(5)8-7-2/h2*3-9H,1-2H3,(H2,19,21,23);6-10H,1-5H3;2-3H,1H3,(H2,10,11,13);2-4H,1H3;1H,(H2,5,6,8)
• InChIKey: GLRIOBKMGXWPMH-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 368.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.02
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 158293900) is 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.Cc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1.Cc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1.Cc1ccc(-c2nc(N)nnc2Br)o1.Cc1ccco1.Nc1ncc(Br)nn1.

What is the InChIKey of 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is GLRIOBKMGXWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N5O.C16H20BNO2.C8H7BrN4O.C5H6O.C3H3BrN4/c2*1-10-8-13(9-12-4-3-7-20-15(10)12)16-17(21-18(19)23-22-16)14-6-5-11(2)24-14;1-11-9-13(10-12-7-6-8-18-14(11)12)17-19-15(2,3)16(4,5)20-17;1-4-2-3-5(14-4)6-7(9)12-13-8(10)11-6;1-5-3-2-4-6-5;4-2-1-6-3(5)8-7-2/h2*3-9H,1-2H3,(H2,19,21,23);6-10H,1-5H3;2-3H,1H3,(H2,10,11,13);2-4H,1H3;1H,(H2,5,6,8).

What are the key properties of 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1416.02 g/mol, XLogP of 13.52, 6 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine;6-bromo-1,2,4-triazin-3-amine;2-methylfuran;bis(5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 158293900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).