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

C10H12FN5O3 — CID 71725131

IUPAC(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cnc12
InChIInChI=1S/C10H12FN5O3/c11-6-7(18)5(2-17)19-8(6)4-1-13-10-9(12)14-3-15-16(4)10/h1,3,5-8,17-18H,2H2,(H2,12,14,15)/t5-,6-,7-,8+/m1/s1
InChIKeyYYOUILVHRQFVCN-XUTVFYLZSA-N
MW269.24 g/mol
LogP-1.16
Rot. Bonds2

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

(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 71725131) has the molecular formula C10H12FN5O3 and a molecular weight of 269.24 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-(4-aminoimidazo[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-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID71725131
Molecular FormulaC10H12FN5O3
Molecular Weight269.24 g/mol
Exact Mass269.09
IUPAC Name(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cnc12
InChIInChI=1S/C10H12FN5O3/c11-6-7(18)5(2-17)19-8(6)4-1-13-10-9(12)14-3-15-16(4)10/h1,3,5-8,17-18H,2H2,(H2,12,14,15)/t5-,6-,7-,8+/m1/s1
InChIKeyYYOUILVHRQFVCN-XUTVFYLZSA-N
XLogP-1.16
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-(4-aminoimidazo[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-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 71725131) is (2R,3R,4R,5S)-5-(4-aminoimidazo[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-aminoimidazo[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-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)cnc12.
What is the InChIKey of (2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is YYOUILVHRQFVCN-XUTVFYLZSA-N. The full InChI is InChI=1S/C10H12FN5O3/c11-6-7(18)5(2-17)19-8(6)4-1-13-10-9(12)14-3-15-16(4)10/h1,3,5-8,17-18H,2H2,(H2,12,14,15)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 269.24 g/mol, XLogP of -1.16, 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-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 71725131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).