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

C13H17FN4O2 — CID 59185407

IUPAC[(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
SMILESCc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2ncnc(N)c12
InChIInChI=1S/C13H17FN4O2/c1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12/h3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17)/t7-,9-,10-,12+/m1/s1
InChIKeyGWKJYXROUIJODJ-LTGWCKQJSA-N
MW280.30 g/mol
LogP1.03
Rot. Bonds2

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

[(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol (PubChem CID 59185407) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
PubChem CID59185407
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name[(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol
SMILESCc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2ncnc(N)c12
InChIInChI=1S/C13H17FN4O2/c1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12/h3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17)/t7-,9-,10-,12+/m1/s1
InChIKeyGWKJYXROUIJODJ-LTGWCKQJSA-N
XLogP1.03
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol with MolForge

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Related Compounds

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CID 162513664
[[(2R,3R,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 58039185
GS-621763
CID 162625114
ODBG-P-RVn
CID 163695694
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-methyl-tetrahydrofuran-3,4-diol
CID 44468217
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 44468219
(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-2-vinyl-tetrahydrofuran-3,4-diol
CID 70689523
VV116
CID 163358784
Antiviral agent 17
CID 10264872
Pyrrollo-A
CID 25000917

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol (CID 59185407) is [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol is Cc1cc([C@@H]2O[C@H](CO)[C@@H](C)[C@H]2F)n2ncnc(N)c12.
What is the InChIKey of [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
The InChIKey is GWKJYXROUIJODJ-LTGWCKQJSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-6-3-8(18-11(6)13(15)16-5-17-18)12-10(14)7(2)9(4-19)20-12/h3,5,7,9-10,12,19H,4H2,1-2H3,(H2,15,16,17)/t7-,9-,10-,12+/m1/s1.
What are the key properties of [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol?
[(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol has a molecular weight of 280.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S)-5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-fluoro-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 59185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).