5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

C50H67BBr2N20O2 — CID 160752800

About 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 160752800) has the molecular formula C50H67BBr2N20O2 and a molecular weight of 1150.84 g/mol. Its IUPAC name is 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

• Compound Name: 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
• PubChem CID: 160752800
• Molecular Formula: C50H67BBr2N20O2
• Molecular Weight: 1150.84 g/mol
• Exact Mass: 1148.42
• IUPAC Name: 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
• SMILES: CC1(C)OB(C2=CCNCC2)OC1(C)C.Nc1ncnn2c(Br)ccc12.Nc1ncnn2c(C3=CCNCC3)ccc12.Nc1ncnn2c(C3CCNCC3)cc(Br)c12.Nc1ncnn2c(C3CCNCC3)ccc12
• InChI: InChI=1S/C11H20BNO2.C11H14BrN5.C11H15N5.C11H13N5.C6H5BrN4/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;12-8-5-9(7-1-3-14-4-2-7)17-10(8)11(13)15-6-16-17;2*12-11-10-2-1-9(16(10)15-7-14-11)8-3-5-13-6-4-8;7-5-2-1-4-6(8)9-3-10-11(4)5/h5,13H,6-8H2,1-4H3;5-7,14H,1-4H2,(H2,13,15,16);1-2,7-8,13H,3-6H2,(H2,12,14,15);1-3,7,13H,4-6H2,(H2,12,14,15);1-3H,(H2,8,9,10)
• InChIKey: RXAWDIVAHVOROP-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 291.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 4
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1150.84
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The IUPAC name of 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (CID 160752800) is 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

What is the SMILES notation for 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The canonical SMILES for 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is CC1(C)OB(C2=CCNCC2)OC1(C)C.Nc1ncnn2c(Br)ccc12.Nc1ncnn2c(C3=CCNCC3)ccc12.Nc1ncnn2c(C3CCNCC3)cc(Br)c12.Nc1ncnn2c(C3CCNCC3)ccc12.

What is the InChIKey of 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The InChIKey is RXAWDIVAHVOROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BNO2.C11H14BrN5.C11H15N5.C11H13N5.C6H5BrN4/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;12-8-5-9(7-1-3-14-4-2-7)17-10(8)11(13)15-6-16-17;2*12-11-10-2-1-9(16(10)15-7-14-11)8-3-5-13-6-4-8;7-5-2-1-4-6(8)9-3-10-11(4)5/h5,13H,6-8H2,1-4H3;5-7,14H,1-4H2,(H2,13,15,16);1-2,7-8,13H,3-6H2,(H2,12,14,15);1-3,7,13H,4-6H2,(H2,12,14,15);1-3H,(H2,8,9,10).

What are the key properties of 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 1150.84 g/mol, XLogP of 5.62, 4 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;7-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 160752800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).