[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium

C29H51N5O9Y — CID 169174180

About [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium

[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium (PubChem CID 169174180) has the molecular formula C29H51N5O9Y and a molecular weight of 702.66 g/mol. Its IUPAC name is [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium.

Molecular Properties

• Compound Name: [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium
• PubChem CID: 169174180
• Molecular Formula: C29H51N5O9Y
• Molecular Weight: 702.66 g/mol
• Exact Mass: 702.27
• IUPAC Name: [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium
• SMILES: C#N.CCC(C)(C)O.CCC(C)(C)OC(=O)O.CCC(C)(C)OC(=O)O.Nc1ncnn2c(C3CCC(CO)O3)ccc12.[Y]
• InChI: InChI=1S/C11H14N4O2.2C6H12O3.C5H12O.CHN.Y/c12-11-9-3-2-8(15(9)14-6-13-11)10-4-1-7(5-16)17-10;2*1-4-6(2,3)9-5(7)8;1-4-5(2,3)6;1-2;/h2-3,6-7,10,16H,1,4-5H2,(H2,12,13,14);2*4H2,1-3H3,(H,7,8);6H,4H2,1-3H3;1H
• InChIKey: FOBNCQKIIOBFCY-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 222.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	702.66
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium?

The IUPAC name of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium (CID 169174180) is [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium.

What is the SMILES notation for [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium?

The canonical SMILES for [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium is C#N.CCC(C)(C)O.CCC(C)(C)OC(=O)O.CCC(C)(C)OC(=O)O.Nc1ncnn2c(C3CCC(CO)O3)ccc12.[Y].

What is the InChIKey of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium?

The InChIKey is FOBNCQKIIOBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2.2C6H12O3.C5H12O.CHN.Y/c12-11-9-3-2-8(15(9)14-6-13-11)10-4-1-7(5-16)17-10;2*1-4-6(2,3)9-5(7)8;1-4-5(2,3)6;1-2;/h2-3,6-7,10,16H,1,4-5H2,(H2,12,13,14);2*4H2,1-3H3,(H,7,8);6H,4H2,1-3H3;1H;.

What are the key properties of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium?

[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium has a molecular weight of 702.66 g/mol, XLogP of 5.57, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methanol;formonitrile;2-methylbutan-2-ol;bis(2-methylbutan-2-yl hydrogen carbonate);yttrium is sourced from PubChem (CID 169174180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).