[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol

C10H12FN5O2 — CID 130373869

IUPAC[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol
SMILESNc1ncnn2c([C@@H]3O[C@H](CO)C[C@H]3F)cnc12
InChIInChI=1S/C10H12FN5O2/c11-6-1-5(3-17)18-8(6)7-2-13-10-9(12)14-4-15-16(7)10/h2,4-6,8,17H,1,3H2,(H2,12,14,15)/t5-,6+,8+/m0/s1
InChIKeyAKNPXUSZODLQIM-SHYZEUOFSA-N
MW253.24 g/mol
LogP-0.13
Rot. Bonds2

About [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol

[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol (PubChem CID 130373869) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol
PubChem CID130373869
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC Name[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol
SMILESNc1ncnn2c([C@@H]3O[C@H](CO)C[C@H]3F)cnc12
InChIInChI=1S/C10H12FN5O2/c11-6-1-5(3-17)18-8(6)7-2-13-10-9(12)14-4-15-16(7)10/h2,4-6,8,17H,1,3H2,(H2,12,14,15)/t5-,6+,8+/m0/s1
InChIKeyAKNPXUSZODLQIM-SHYZEUOFSA-N
XLogP-0.13
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 123636704
[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
CID 118409928
[(3aS,4S,6R,6aR)-4-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 90070405
5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 123539025
7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
CID 155222822
(2R,4S,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 156627057
[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 14853632
[5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-methyloxolan-2-yl]methanol
CID 91126974
methyl (E)-3-[4-amino-7-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methylprop-2-enoate
CID 143861250
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
[(2S,3R,4S,5S)-5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185543
(1R,3R,5R)-3-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1-ethynyl-2-oxabicyclo[3.1.0]hexane-5,6-diol
CID 131965860

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol (CID 130373869) is [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol is Nc1ncnn2c([C@@H]3O[C@H](CO)C[C@H]3F)cnc12.
What is the InChIKey of [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol?
The InChIKey is AKNPXUSZODLQIM-SHYZEUOFSA-N. The full InChI is InChI=1S/C10H12FN5O2/c11-6-1-5(3-17)18-8(6)7-2-13-10-9(12)14-4-15-16(7)10/h2,4-6,8,17H,1,3H2,(H2,12,14,15)/t5-,6+,8+/m0/s1.
What are the key properties of [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol?
[(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol has a molecular weight of 253.24 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 130373869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).