[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium

C19H29N5O5P+ — CID 145277840

About [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium

[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium (PubChem CID 145277840) has the molecular formula C19H29N5O5P+ and a molecular weight of 438.45 g/mol. Its IUPAC name is [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium.

Molecular Properties

• Compound Name: [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium
• PubChem CID: 145277840
• Molecular Formula: C19H29N5O5P+
• Molecular Weight: 438.45 g/mol
• Exact Mass: 438.19
• IUPAC Name: [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium
• SMILES: CCC(CC)COC(=O)CN[P+](=O)OCC1CCC(c2ccc3c(N)ncnn23)O1
• InChI: InChI=1S/C19H29N5O5P/c1-3-13(4-2)10-27-18(25)9-23-30(26)28-11-14-5-8-17(29-14)15-6-7-16-19(20)21-12-22-24(15)16/h6-7,12-14,17H,3-5,8-11H2,1-2H3,(H,23,26)(H2,20,21,22)/q+1
• InChIKey: MCLDYXUQZDMJNL-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 130.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.45
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium?

The IUPAC name of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium (CID 145277840) is [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium.

What is the SMILES notation for [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium?

The canonical SMILES for [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium is CCC(CC)COC(=O)CN[P+](=O)OCC1CCC(c2ccc3c(N)ncnn23)O1.

What is the InChIKey of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium?

The InChIKey is MCLDYXUQZDMJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O5P/c1-3-13(4-2)10-27-18(25)9-23-30(26)28-11-14-5-8-17(29-14)15-6-7-16-19(20)21-12-22-24(15)16/h6-7,12-14,17H,3-5,8-11H2,1-2H3,(H,23,26)(H2,20,21,22)/q+1.

What are the key properties of [5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium?

[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium has a molecular weight of 438.45 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 9 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]methoxy-[[2-(2-ethylbutoxy)-2-oxoethyl]amino]-oxophosphanium is sourced from PubChem (CID 145277840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).