6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride

C86H114Br2Cl2N22O6 — CID 164969886

About 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride

6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride (PubChem CID 164969886) has the molecular formula C86H114Br2Cl2N22O6 and a molecular weight of 1782.72 g/mol. Its IUPAC name is 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
• PubChem CID: 164969886
• Molecular Formula: C86H114Br2Cl2N22O6
• Molecular Weight: 1782.72 g/mol
• Exact Mass: 1778.70
• IUPAC Name: 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCNCC1.CCOC(C)=O.Cc1cccc([C@@H](C)N)c1.Cc1cccc([C@@H](C)Nc2ncnn3cc(Br)cc23)c1.Cc1cccc([C@@H](C)Nc2ncnn3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc23)c1.Cc1cccc([C@@H](C)Nc2ncnn3cc(N4CCNCC4)cc23)c1.Cl.Clc1ncnn2cc(Br)cc12
• InChI: InChI=1S/C24H32N6O2.C19H24N6.C15H15BrN4.C9H18N2O2.C9H13N.C6H3BrClN3.C4H8O2.ClH/c1-17-7-6-8-19(13-17)18(2)27-22-21-14-20(15-30(21)26-16-25-22)28-9-11-29(12-10-28)23(31)32-24(3,4)5;1-14-4-3-5-16(10-14)15(2)23-19-18-11-17(12-25(18)22-13-21-19)24-8-6-20-7-9-24;1-10-4-3-5-12(6-10)11(2)19-15-14-7-13(16)8-20(14)18-9-17-15;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4-3-5-9(6-7)8(2)10;7-4-1-5-6(8)9-3-10-11(5)2-4;1-3-6-4(2)5;/h6-8,13-16,18H,9-12H2,1-5H3,(H,25,26,27);3-5,10-13,15,20H,6-9H2,1-2H3,(H,21,22,23);3-9,11H,1-2H3,(H,17,18,19);10H,4-7H2,1-3H3;3-6,8H,10H2,1-2H3;1-3H;3H2,1-2H3;1H/t18-;15-;11-;;8-;;;/m111.1.../s1
• InChIKey: QDKZDZBGPQYHQA-DFIHNERWSA-N
• XLogP: 16.84
• TPSA: 298.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1782.72
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

The IUPAC name of 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride (CID 164969886) is 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride.

What is the SMILES notation for 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

The canonical SMILES for 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride is CC(C)(C)OC(=O)N1CCNCC1.CCOC(C)=O.Cc1cccc([C@@H](C)N)c1.Cc1cccc([C@@H](C)Nc2ncnn3cc(Br)cc23)c1.Cc1cccc([C@@H](C)Nc2ncnn3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc23)c1.Cc1cccc([C@@H](C)Nc2ncnn3cc(N4CCNCC4)cc23)c1.Cl.Clc1ncnn2cc(Br)cc12.

What is the InChIKey of 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

The InChIKey is QDKZDZBGPQYHQA-DFIHNERWSA-N. The full InChI is InChI=1S/C24H32N6O2.C19H24N6.C15H15BrN4.C9H18N2O2.C9H13N.C6H3BrClN3.C4H8O2.ClH/c1-17-7-6-8-19(13-17)18(2)27-22-21-14-20(15-30(21)26-16-25-22)28-9-11-29(12-10-28)23(31)32-24(3,4)5;1-14-4-3-5-16(10-14)15(2)23-19-18-11-17(12-25(18)22-13-21-19)24-8-6-20-7-9-24;1-10-4-3-5-12(6-10)11(2)19-15-14-7-13(16)8-20(14)18-9-17-15;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-7-4-3-5-9(6-7)8(2)10;7-4-1-5-6(8)9-3-10-11(5)2-4;1-3-6-4(2)5;/h6-8,13-16,18H,9-12H2,1-5H3,(H,25,26,27);3-5,10-13,15,20H,6-9H2,1-2H3,(H,21,22,23);3-9,11H,1-2H3,(H,17,18,19);10H,4-7H2,1-3H3;3-6,8H,10H2,1-2H3;1-3H;3H2,1-2H3;1H/t18-;15-;11-;;8-;;;/m111.1.../s1.

What are the key properties of 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride?

6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride has a molecular weight of 1782.72 g/mol, XLogP of 16.84, 13 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazine;6-bromo-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;tert-butyl 4-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;ethyl acetate;(1R)-1-(3-methylphenyl)ethanamine;N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperazin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride is sourced from PubChem (CID 164969886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).