[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol

C14H14FN5O3 — CID 78042222

IUPAC[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol
SMILESNc1ncnn2c(C3OC(CO)CC3F)cc(-c3ncco3)c12
InChIInChI=1S/C14H14FN5O3/c15-9-3-7(5-21)23-12(9)10-4-8(14-17-1-2-22-14)11-13(16)18-6-19-20(10)11/h1-2,4,6-7,9,12,21H,3,5H2,(H2,16,18,19)
InChIKeyYKRLZVHHHVBQDA-UHFFFAOYSA-N
MW319.30 g/mol
LogP1.13
Rot. Bonds3

About [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol

[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol (PubChem CID 78042222) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol
PubChem CID78042222
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC Name[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol
SMILESNc1ncnn2c(C3OC(CO)CC3F)cc(-c3ncco3)c12
InChIInChI=1S/C14H14FN5O3/c15-9-3-7(5-21)23-12(9)10-4-8(14-17-1-2-22-14)11-13(16)18-6-19-20(10)11/h1-2,4,6-7,9,12,21H,3,5H2,(H2,16,18,19)
InChIKeyYKRLZVHHHVBQDA-UHFFFAOYSA-N
XLogP1.13
TPSA111.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-Acetyl-1-[3-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3,3-dimethylpiperazin-2-one
CID 137640131
(2S,3R,4R,5R)-2-(4-amino-5-oxazol-2-yl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CID 44608950
1-[4-[4-Amino-6-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea
CID 57757988
[(2S,3R,4S,5S)-5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185442
4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 59185454
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185463
4-amino-7-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-3,3-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 59185465
4-amino-7-[(2S,3R,4R,5S)-3-fluoro-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 59185482
[(2R,3S,5R)-5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-fluoro-4,4-dimethyloxolan-2-yl]methanol
CID 59185502
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol
CID 59185528
4-amino-7-[(2S,3S,4R,5S)-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 59185536
4-amino-7-[(2S,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
CID 70927160

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol (CID 78042222) is [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol is Nc1ncnn2c(C3OC(CO)CC3F)cc(-c3ncco3)c12.
What is the InChIKey of [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol?
The InChIKey is YKRLZVHHHVBQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O3/c15-9-3-7(5-21)23-12(9)10-4-8(14-17-1-2-22-14)11-13(16)18-6-19-20(10)11/h1-2,4,6-7,9,12,21H,3,5H2,(H2,16,18,19).
What are the key properties of [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol?
[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol has a molecular weight of 319.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 78042222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).