7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C70H99BBr2N20O10 — CID 159033814

About 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 159033814) has the molecular formula C70H99BBr2N20O10 and a molecular weight of 1551.31 g/mol. Its IUPAC name is 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 159033814
• Molecular Formula: C70H99BBr2N20O10
• Molecular Weight: 1551.31 g/mol
• Exact Mass: 1548.63
• IUPAC Name: 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3c(N)ncnn23)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(Br)c3c(N)ncnn23)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc3c(N)ncnn23)CC1.Nc1ncnn2c(Br)ccc12
• InChI: InChI=1S/C16H28BNO4.C16H22BrN5O2.C16H23N5O2.C16H21N5O2.C6H5BrN4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)24-15(23)21-6-4-10(5-7-21)12-8-11(17)13-14(18)19-9-20-22(12)13;2*1-16(2,3)23-15(22)20-8-6-11(7-9-20)12-4-5-13-14(17)18-10-19-21(12)13;7-5-2-1-4-6(8)9-3-10-11(4)5/h8H,9-11H2,1-7H3;8-10H,4-7H2,1-3H3,(H2,18,19,20);4-5,10-11H,6-9H2,1-3H3,(H2,17,18,19);4-6,10H,7-9H2,1-3H3,(H2,17,18,19);1-3H,(H2,8,9,10)
• InChIKey: JVFBIPMUURGTMD-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 361.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 4
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1551.31
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 159033814) is 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc3c(N)ncnn23)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(Br)c3c(N)ncnn23)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc3c(N)ncnn23)CC1.Nc1ncnn2c(Br)ccc12.

What is the InChIKey of 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is JVFBIPMUURGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BNO4.C16H22BrN5O2.C16H23N5O2.C16H21N5O2.C6H5BrN4/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)24-15(23)21-6-4-10(5-7-21)12-8-11(17)13-14(18)19-9-20-22(12)13;2*1-16(2,3)23-15(22)20-8-6-11(7-9-20)12-4-5-13-14(17)18-10-19-21(12)13;7-5-2-1-4-6(8)9-3-10-11(4)5/h8H,9-11H2,1-7H3;8-10H,4-7H2,1-3H3,(H2,18,19,20);4-5,10-11H,6-9H2,1-3H3,(H2,17,18,19);4-6,10H,7-9H2,1-3H3,(H2,17,18,19);1-3H,(H2,8,9,10).

What are the key properties of 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?

7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 1551.31 g/mol, XLogP of 12.21, 4 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 159033814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).