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

C12H16FN5O3 — CID 166921289

IUPAC(2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@]1(CO)O[C@@H](Cc2cnc3c(N)ncnn23)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H16FN5O3/c1-12(4-19)9(20)8(13)7(21-12)2-6-3-15-11-10(14)16-5-17-18(6)11/h3,5,7-9,19-20H,2,4H2,1H3,(H2,14,16,17)/t7-,8-,9-,12+/m0/s1
InChIKeyWDJKCFTUALLRGU-PHGLEFOZSA-N
MW297.29 g/mol
LogP-0.90
Rot. Bonds3

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

(2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 166921289) has the molecular formula C12H16FN5O3 and a molecular weight of 297.29 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID166921289
Molecular FormulaC12H16FN5O3
Molecular Weight297.29 g/mol
Exact Mass297.12
IUPAC Name(2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC[C@]1(CO)O[C@@H](Cc2cnc3c(N)ncnn23)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H16FN5O3/c1-12(4-19)9(20)8(13)7(21-12)2-6-3-15-11-10(14)16-5-17-18(6)11/h3,5,7-9,19-20H,2,4H2,1H3,(H2,14,16,17)/t7-,8-,9-,12+/m0/s1
InChIKeyWDJKCFTUALLRGU-PHGLEFOZSA-N
XLogP-0.90
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol with MolForge

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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)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol (CID 166921289) is (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol is C[C@]1(CO)O[C@@H](Cc2cnc3c(N)ncnn23)[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is WDJKCFTUALLRGU-PHGLEFOZSA-N. The full InChI is InChI=1S/C12H16FN5O3/c1-12(4-19)9(20)8(13)7(21-12)2-6-3-15-11-10(14)16-5-17-18(6)11/h3,5,7-9,19-20H,2,4H2,1H3,(H2,14,16,17)/t7-,8-,9-,12+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
(2R,3R,4R,5S)-5-[(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 297.29 g/mol, XLogP of -0.90, 3 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)methyl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 166921289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).