7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H16FN5OS — CID 143921827

IUPAC7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@@H]1C[C@H](F)[C@H](c2cc(-c3nccs3)c3c(N)ncnn23)O1
InChIInChI=1S/C15H16FN5OS/c1-2-8-5-10(16)13(22-8)11-6-9(15-18-3-4-23-15)12-14(17)19-7-20-21(11)12/h3-4,6-8,10,13H,2,5H2,1H3,(H2,17,19,20)/t8-,10+,13-/m1/s1
InChIKeyRAVKHZKRJXMBCD-DFAYQTQMSA-N
MW333.39 g/mol
LogP3.01
Rot. Bonds3

About 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 143921827) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID143921827
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC Name7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@@H]1C[C@H](F)[C@H](c2cc(-c3nccs3)c3c(N)ncnn23)O1
InChIInChI=1S/C15H16FN5OS/c1-2-8-5-10(16)13(22-8)11-6-9(15-18-3-4-23-15)12-14(17)19-7-20-21(11)12/h3-4,6-8,10,13H,2,5H2,1H3,(H2,17,19,20)/t8-,10+,13-/m1/s1
InChIKeyRAVKHZKRJXMBCD-DFAYQTQMSA-N
XLogP3.01
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4S,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 156015623
2-[2-(4-fluorophenyl)-1,3-oxathiolan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107764
(4-Fluorophenyl)-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
CID 58494331
[(2R,3S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-3-fluoro-4,4-dimethyloxolan-2-yl]methanol
CID 59185446
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185453
[(2S,3R,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3,4-dimethyloxolan-2-yl]methanol
CID 59185468
[(2S,3R,4S,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-3-methyloxolan-2-yl]methanol
CID 59185472
(2S,3S,4R,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 70927180
[(2S,4R,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluoro-4-methyloxolan-2-yl]methanol
CID 70927183
[(2S,4S,5S)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorooxolan-2-yl]methanol
CID 71229172
[3-[4-Amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-fluorocyclopentyl]methanol
CID 91171082
1-[[(2S,4S,5R)-4-ethenyl-5-(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl]-8-[2-(4-fluorophenyl)ethyl]-1,8-diazaspiro[4.5]decane
CID 130419170

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 143921827) is 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC[C@@H]1C[C@H](F)[C@H](c2cc(-c3nccs3)c3c(N)ncnn23)O1.
What is the InChIKey of 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RAVKHZKRJXMBCD-DFAYQTQMSA-N. The full InChI is InChI=1S/C15H16FN5OS/c1-2-8-5-10(16)13(22-8)11-6-9(15-18-3-4-23-15)12-14(17)19-7-20-21(11)12/h3-4,6-8,10,13H,2,5H2,1H3,(H2,17,19,20)/t8-,10+,13-/m1/s1.
What are the key properties of 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 333.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3S,5R)-5-ethyl-3-fluorooxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143921827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).