[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate

C15H21N6O5P — CID 123583757

About [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate

[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate (PubChem CID 123583757) has the molecular formula C15H21N6O5P and a molecular weight of 396.34 g/mol. Its IUPAC name is [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate.

Molecular Properties

• Compound Name: [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate
• PubChem CID: 123583757
• Molecular Formula: C15H21N6O5P
• Molecular Weight: 396.34 g/mol
• Exact Mass: 396.13
• IUPAC Name: [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate
• SMILES: CC(C)OP(=O)(O)OCC1CC(C)(C#N)C(c2cnc3c(N)ncnn23)O1
• InChI: InChI=1S/C15H21N6O5P/c1-9(2)26-27(22,23)24-6-10-4-15(3,7-16)12(25-10)11-5-18-14-13(17)19-8-20-21(11)14/h5,8-10,12H,4,6H2,1-3H3,(H,22,23)(H2,17,19,20)
• InChIKey: VLRIVTCQNPFAFQ-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 157.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.34
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate?

The IUPAC name of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate (CID 123583757) is [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate.

What is the SMILES notation for [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate?

The canonical SMILES for [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate is CC(C)OP(=O)(O)OCC1CC(C)(C#N)C(c2cnc3c(N)ncnn23)O1.

What is the InChIKey of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate?

The InChIKey is VLRIVTCQNPFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N6O5P/c1-9(2)26-27(22,23)24-6-10-4-15(3,7-16)12(25-10)11-5-18-14-13(17)19-8-20-21(11)14/h5,8-10,12H,4,6H2,1-3H3,(H,22,23)(H2,17,19,20).

What are the key properties of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate?

[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate has a molecular weight of 396.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-cyano-4-methyloxolan-2-yl]methyl propan-2-yl hydrogen phosphate is sourced from PubChem (CID 123583757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).