1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid

C10H14FN4O4P — CID 130427579

IUPAC1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid
SMILESCC(Cc1ccc2c(N)nc(F)nn12)OCP(=O)(O)O
InChIInChI=1S/C10H14FN4O4P/c1-6(19-5-20(16,17)18)4-7-2-3-8-9(12)13-10(11)14-15(7)8/h2-3,6H,4-5H2,1H3,(H2,12,13,14)(H2,16,17,18)
InChIKeyQRBAACFEWGNUNW-UHFFFAOYSA-N
MW304.22 g/mol
LogP0.53
Rot. Bonds5

About 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid

1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid (PubChem CID 130427579) has the molecular formula C10H14FN4O4P and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid.

Molecular Properties

Compound Name1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid
PubChem CID130427579
Molecular FormulaC10H14FN4O4P
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid
SMILESCC(Cc1ccc2c(N)nc(F)nn12)OCP(=O)(O)O
InChIInChI=1S/C10H14FN4O4P/c1-6(19-5-20(16,17)18)4-7-2-3-8-9(12)13-10(11)14-15(7)8/h2-3,6H,4-5H2,1H3,(H2,12,13,14)(H2,16,17,18)
InChIKeyQRBAACFEWGNUNW-UHFFFAOYSA-N
XLogP0.53
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid?
The IUPAC name of 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid (CID 130427579) is 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid.
What is the SMILES notation for 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid?
The canonical SMILES for 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid is CC(Cc1ccc2c(N)nc(F)nn12)OCP(=O)(O)O.
What is the InChIKey of 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid?
The InChIKey is QRBAACFEWGNUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN4O4P/c1-6(19-5-20(16,17)18)4-7-2-3-8-9(12)13-10(11)14-15(7)8/h2-3,6H,4-5H2,1H3,(H2,12,13,14)(H2,16,17,18).
What are the key properties of 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid?
1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid has a molecular weight of 304.22 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethylphosphonic acid is sourced from PubChem (CID 130427579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).