[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol

C11H15N5O2 — CID 118409928

IUPAC[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@H](c2cnc3c(N)ncnn23)O[C@@H]1CO
InChIInChI=1S/C11H15N5O2/c1-6-2-8(18-9(6)4-17)7-3-13-11-10(12)14-5-15-16(7)11/h3,5-6,8-9,17H,2,4H2,1H3,(H2,12,14,15)/t6-,8+,9+/m0/s1
InChIKeyOVOVIKCAHAYVMI-NBEYISGCSA-N
MW249.27 g/mol
LogP0.16
Rot. Bonds2

About [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol

[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol (PubChem CID 118409928) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
PubChem CID118409928
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@H](c2cnc3c(N)ncnn23)O[C@@H]1CO
InChIInChI=1S/C11H15N5O2/c1-6-2-8(18-9(6)4-17)7-3-13-11-10(12)14-5-15-16(7)11/h3,5-6,8-9,17H,2,4H2,1H3,(H2,12,14,15)/t6-,8+,9+/m0/s1
InChIKeyOVOVIKCAHAYVMI-NBEYISGCSA-N
XLogP0.16
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.16
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,4R,5S)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-fluorooxolan-2-yl]methanol
CID 130373869
[(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
(2R,3S,5R)-5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 130373586
5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 123539025
2-amino-9-[(3R,5S)-3-[[(2R,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-3-yl]-1H-purin-6-one
CID 174011485
(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
2-amino-9-[(2R,3R,5S)-3-[2-[(2R,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-hydroxyoxolan-2-yl]ethoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137123416
(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
N-[7-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-yl]benzamide
CID 126585080
[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-2-[[[2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanyl-sulfanylidenephosphanium
CID 163683085
(2S,3R,4R,5R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;methane;7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 157239005

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol (CID 118409928) is [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol is C[C@H]1C[C@H](c2cnc3c(N)ncnn23)O[C@@H]1CO.
What is the InChIKey of [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol?
The InChIKey is OVOVIKCAHAYVMI-NBEYISGCSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-2-8(18-9(6)4-17)7-3-13-11-10(12)14-5-15-16(7)11/h3,5-6,8-9,17H,2,4H2,1H3,(H2,12,14,15)/t6-,8+,9+/m0/s1.
What are the key properties of [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol?
[(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 118409928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).