(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane

C32H34BCl3N10O5 — CID 162260432

About (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane

(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane (PubChem CID 162260432) has the molecular formula C32H34BCl3N10O5 and a molecular weight of 755.86 g/mol. Its IUPAC name is (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane.

Molecular Properties

• Compound Name: (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane
• PubChem CID: 162260432
• Molecular Formula: C32H34BCl3N10O5
• Molecular Weight: 755.86 g/mol
• Exact Mass: 754.19
• IUPAC Name: (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane
• SMILES: CC[C@@H]1C[C@@H](OCc2ccccc2)C(C#N)(c2ccc3c(N)ncnn23)O1.ClB(Cl)Cl.N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)C[C@H]1O
• InChI: InChI=1S/C20H21N5O2.C12H13N5O3.BCl3/c1-2-15-10-18(26-11-14-6-4-3-5-7-14)20(12-21,27-15)17-9-8-16-19(22)23-13-24-25(16)17;13-5-12(10(19)3-7(4-18)20-12)9-2-1-8-11(14)15-6-16-17(8)9;2-1(3)4/h3-9,13,15,18H,2,10-11H2,1H3,(H2,22,23,24);1-2,6-7,10,18-19H,3-4H2,(H2,14,15,16);/t15-,18-,20?;7-,10+,12-;/m10./s1
• InChIKey: ZZEFIEFXODCXRN-WPBKWUDVSA-N
• XLogP: 3.67
• TPSA: 228.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.86
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane?

The IUPAC name of (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane (CID 162260432) is (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane.

What is the SMILES notation for (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane?

The canonical SMILES for (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane is CC[C@@H]1C[C@@H](OCc2ccccc2)C(C#N)(c2ccc3c(N)ncnn23)O1.ClB(Cl)Cl.N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)C[C@H]1O.

What is the InChIKey of (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane?

The InChIKey is ZZEFIEFXODCXRN-WPBKWUDVSA-N. The full InChI is InChI=1S/C20H21N5O2.C12H13N5O3.BCl3/c1-2-15-10-18(26-11-14-6-4-3-5-7-14)20(12-21,27-15)17-9-8-16-19(22)23-13-24-25(16)17;13-5-12(10(19)3-7(4-18)20-12)9-2-1-8-11(14)15-6-16-17(8)9;2-1(3)4/h3-9,13,15,18H,2,10-11H2,1H3,(H2,22,23,24);1-2,6-7,10,18-19H,3-4H2,(H2,14,15,16);/t15-,18-,20?;7-,10+,12-;/m10./s1.

What are the key properties of (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane?

(3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane has a molecular weight of 755.86 g/mol, XLogP of 3.67, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-3-phenylmethoxyoxolane-2-carbonitrile;(2R,3R,5S)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile;trichloroborane is sourced from PubChem (CID 162260432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).