lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane

C46H64BrLiN8O6Si — CID 157412320

About lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane

lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane (PubChem CID 157412320) has the molecular formula C46H64BrLiN8O6Si and a molecular weight of 940.00 g/mol. Its IUPAC name is lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane.

Molecular Properties

• Compound Name: lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane
• PubChem CID: 157412320
• Molecular Formula: C46H64BrLiN8O6Si
• Molecular Weight: 940.00 g/mol
• Exact Mass: 938.41
• IUPAC Name: lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane
• SMILES: CC[C@@H]1C[C@@H](OCc2ccccc2)C(=O)O1.CC[C@@H]1C[C@@H](OCc2ccccc2)C(O)(c2ccc3c(N)ncnn23)O1.C[Si](C)(C)C.Nc1ncnn2c(Br)ccc12.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C19H22N4O3.C13H16O3.C6H5BrN4.C4H12Si.C4H9.Li/c1-2-14-10-17(25-11-13-6-4-3-5-7-13)19(24,26-14)16-9-8-15-18(20)21-12-22-23(15)16;1-2-11-8-12(13(14)16-11)15-9-10-6-4-3-5-7-10;7-5-2-1-4-6(8)9-3-10-11(4)5;1-5(2,3)4;1-3-4-2;/h3-9,12,14,17,24H,2,10-11H2,1H3,(H2,20,21,22);3-7,11-12H,2,8-9H2,1H3;1-3H,(H2,8,9,10);1-4H3;1,3-4H2,2H3;/q;;;;-1;+1/t14-,17-,19?;11-,12-;;;;/m11..../s1
• InChIKey: IKNIXCCCFWUVNN-YRCAJGTFSA-N
• XLogP: 6.19
• TPSA: 186.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.00
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane?

The IUPAC name of lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane (CID 157412320) is lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane.

What is the SMILES notation for lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane?

The canonical SMILES for lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane is CC[C@@H]1C[C@@H](OCc2ccccc2)C(=O)O1.CC[C@@H]1C[C@@H](OCc2ccccc2)C(O)(c2ccc3c(N)ncnn23)O1.C[Si](C)(C)C.Nc1ncnn2c(Br)ccc12.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane?

The InChIKey is IKNIXCCCFWUVNN-YRCAJGTFSA-N. The full InChI is InChI=1S/C19H22N4O3.C13H16O3.C6H5BrN4.C4H12Si.C4H9.Li/c1-2-14-10-17(25-11-13-6-4-3-5-7-13)19(24,26-14)16-9-8-15-18(20)21-12-22-23(15)16;1-2-11-8-12(13(14)16-11)15-9-10-6-4-3-5-7-10;7-5-2-1-4-6(8)9-3-10-11(4)5;1-5(2,3)4;1-3-4-2;/h3-9,12,14,17,24H,2,10-11H2,1H3,(H2,20,21,22);3-7,11-12H,2,8-9H2,1H3;1-3H,(H2,8,9,10);1-4H3;1,3-4H2,2H3;/q;;;;-1;+1/t14-,17-,19?;11-,12-;;;;/m11..../s1.

What are the key properties of lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane?

lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane has a molecular weight of 940.00 g/mol, XLogP of 6.19, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolan-2-ol;7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine;butane;(3R,5R)-5-ethyl-3-phenylmethoxyoxolan-2-one;tetramethylsilane is sourced from PubChem (CID 157412320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).