(2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C10H11F2N5O3 — CID 71745727

IUPAC(2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(F)nn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cnc12
InChIInChI=1S/C10H11F2N5O3/c11-5-6(19)4(2-18)20-7(5)3-1-14-9-8(13)15-10(12)16-17(3)9/h1,4-7,18-19H,2H2,(H2,13,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyHJSKJLDFMCKKTJ-GBNDHIKLSA-N
MW287.23 g/mol
LogP-1.02
Rot. Bonds2

About (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71745727) has the molecular formula C10H11F2N5O3 and a molecular weight of 287.23 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71745727
Molecular FormulaC10H11F2N5O3
Molecular Weight287.23 g/mol
Exact Mass287.08
IUPAC Name(2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(F)nn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cnc12
InChIInChI=1S/C10H11F2N5O3/c11-5-6(19)4(2-18)20-7(5)3-1-14-9-8(13)15-10(12)16-17(3)9/h1,4-7,18-19H,2H2,(H2,13,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyHJSKJLDFMCKKTJ-GBNDHIKLSA-N
XLogP-1.02
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 71745727) is (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is Nc1nc(F)nn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cnc12.
What is the InChIKey of (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is HJSKJLDFMCKKTJ-GBNDHIKLSA-N. The full InChI is InChI=1S/C10H11F2N5O3/c11-5-6(19)4(2-18)20-7(5)3-1-14-9-8(13)15-10(12)16-17(3)9/h1,4-7,18-19H,2H2,(H2,13,15,16)/t4-,5-,6-,7+/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 287.23 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-(4-amino-2-fluoroimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71745727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).