[(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid

C10H15N4O4P — CID 130427539

IUPAC[(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid
SMILESC[C@H](Cc1ccc2c(N)ncnn12)OCP(=O)(O)O
InChIInChI=1S/C10H15N4O4P/c1-7(18-6-19(15,16)17)4-8-2-3-9-10(11)12-5-13-14(8)9/h2-3,5,7H,4,6H2,1H3,(H2,11,12,13)(H2,15,16,17)/t7-/m1/s1
InChIKeyHRTGLHKMUJXXKQ-SSDOTTSWSA-N
MW286.23 g/mol
LogP0.39
Rot. Bonds5

About [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid

[(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid (PubChem CID 130427539) has the molecular formula C10H15N4O4P and a molecular weight of 286.23 g/mol. Its IUPAC name is [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid
PubChem CID130427539
Molecular FormulaC10H15N4O4P
Molecular Weight286.23 g/mol
Exact Mass286.08
IUPAC Name[(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid
SMILESC[C@H](Cc1ccc2c(N)ncnn12)OCP(=O)(O)O
InChIInChI=1S/C10H15N4O4P/c1-7(18-6-19(15,16)17)4-8-2-3-9-10(11)12-5-13-14(8)9/h2-3,5,7H,4,6H2,1H3,(H2,11,12,13)(H2,15,16,17)/t7-/m1/s1
InChIKeyHRTGLHKMUJXXKQ-SSDOTTSWSA-N
XLogP0.39
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Amino-2-fluoro-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
CID 130427629
2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
CID 130427535
[[(1R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate
CID 130427647
[(1R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
CID 130427774
[2-(4-Amino-2-fluoro-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-methyl-ethoxy]methylphosphonic acid
CID 130427579
((1-((4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)methyl)cyclopropoxy)methyl) phosphonic Acid
CID 130427522
[2-(2,4-Diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
CID 130427621
[1-(2,4-Diaminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 130426083
(S)-(((1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoropropan-2-yl)oxy)methyl)phosphonic Acid
CID 130427485
[[4-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123494872
[1-(4-Amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 130426088
[[1-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3-fluoropropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 130427481

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid (CID 130427539) is [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid is C[C@H](Cc1ccc2c(N)ncnn12)OCP(=O)(O)O.
What is the InChIKey of [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid?
The InChIKey is HRTGLHKMUJXXKQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N4O4P/c1-7(18-6-19(15,16)17)4-8-2-3-9-10(11)12-5-13-14(8)9/h2-3,5,7H,4,6H2,1H3,(H2,11,12,13)(H2,15,16,17)/t7-/m1/s1.
What are the key properties of [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid?
[(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid has a molecular weight of 286.23 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 130427539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).