7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride

C58H69Br3Cl6N20O8P+ — CID 159365170

About 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride

7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride (PubChem CID 159365170) has the molecular formula C58H69Br3Cl6N20O8P+ and a molecular weight of 1657.73 g/mol. Its IUPAC name is 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride.

Molecular Properties

• Compound Name: 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride
• PubChem CID: 159365170
• Molecular Formula: C58H69Br3Cl6N20O8P+
• Molecular Weight: 1657.73 g/mol
• Exact Mass: 1651.10
• IUPAC Name: 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride
• SMILES: CCN(CC)CC.CCOC(=O)c1cn2nc[nH]c(=O)c2c1C.CC[N+](CC)(CC)Cc1cc(Br)n2ncnc(Cl)c12.Cc1c(C(=O)O)cn2nc[nH]c(=O)c12.Cc1ccn2nc[nH]c(=O)c12.Cc1ccn2ncnc(Cl)c12.Clc1ncnn2c(Br)cc(CBr)c12.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C13H19BrClN4.C10H11N3O3.C8H7N3O3.C7H4Br2ClN3.C7H6ClN3.C7H7N3O.C6H15N.Cl3OP/c1-4-19(5-2,6-3)8-10-7-11(14)18-12(10)13(15)16-9-17-18;1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13;1-4-5(8(13)14)2-11-6(4)7(12)9-3-10-11;8-2-4-1-5(9)13-6(4)7(10)11-3-12-13;1-5-2-3-11-6(5)7(8)9-4-10-11;1-5-2-3-10-6(5)7(11)8-4-9-10;1-4-7(5-2)6-3;1-5(2,3)4/h7,9H,4-6,8H2,1-3H3;4-5H,3H2,1-2H3,(H,11,12,14);2-3H,1H3,(H,13,14)(H,9,10,12);1,3H,2H2;2-4H,1H3;2-4H,1H3,(H,8,9,11);4-6H2,1-3H3;/q+1
• InChIKey: LJANERUPHDACAV-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 324.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1657.73
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?

The IUPAC name of 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride (CID 159365170) is 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride.

What is the SMILES notation for 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?

The canonical SMILES for 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride is CCN(CC)CC.CCOC(=O)c1cn2nc[nH]c(=O)c2c1C.CC[N+](CC)(CC)Cc1cc(Br)n2ncnc(Cl)c12.Cc1c(C(=O)O)cn2nc[nH]c(=O)c12.Cc1ccn2nc[nH]c(=O)c12.Cc1ccn2ncnc(Cl)c12.Clc1ncnn2c(Br)cc(CBr)c12.O=P(Cl)(Cl)Cl.

What is the InChIKey of 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?

The InChIKey is LJANERUPHDACAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN4.C10H11N3O3.C8H7N3O3.C7H4Br2ClN3.C7H6ClN3.C7H7N3O.C6H15N.Cl3OP/c1-4-19(5-2,6-3)8-10-7-11(14)18-12(10)13(15)16-9-17-18;1-3-16-10(15)7-4-13-8(6(7)2)9(14)11-5-12-13;1-4-5(8(13)14)2-11-6(4)7(12)9-3-10-11;8-2-4-1-5(9)13-6(4)7(10)11-3-12-13;1-5-2-3-11-6(5)7(8)9-4-10-11;1-5-2-3-10-6(5)7(11)8-4-9-10;1-4-7(5-2)6-3;1-5(2,3)4/h7,9H,4-6,8H2,1-3H3;4-5H,3H2,1-2H3,(H,11,12,14);2-3H,1H3,(H,13,14)(H,9,10,12);1,3H,2H2;2-4H,1H3;2-4H,1H3,(H,8,9,11);4-6H2,1-3H3;/q+1;;;;;;;.

What are the key properties of 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?

7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride has a molecular weight of 1657.73 g/mol, XLogP of 13.28, 12 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine;(7-bromo-4-chloropyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl-triethylazanium;4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;N,N-diethylethanamine;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride is sourced from PubChem (CID 159365170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).