[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol

C14H15N5O2S — CID 70142149

IUPAC[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol
SMILESNc1ncnn2c([C@H]3CC[C@@H](CO)O3)cc(-c3nccs3)c12
InChIInChI=1S/C14H15N5O2S/c15-13-12-9(14-16-3-4-22-14)5-10(19(12)18-7-17-13)11-2-1-8(6-20)21-11/h3-5,7-8,11,20H,1-2,6H2,(H2,15,17,18)/t8-,11+/m0/s1
InChIKeyXSNQUOLZPCTCSZ-GZMMTYOYSA-N
MW317.37 g/mol
LogP1.65
Rot. Bonds3

About [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol

[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol (PubChem CID 70142149) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol
PubChem CID70142149
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol
SMILESNc1ncnn2c([C@H]3CC[C@@H](CO)O3)cc(-c3nccs3)c12
InChIInChI=1S/C14H15N5O2S/c15-13-12-9(14-16-3-4-22-14)5-10(19(12)18-7-17-13)11-2-1-8(6-20)21-11/h3-5,7-8,11,20H,1-2,6H2,(H2,15,17,18)/t8-,11+/m0/s1
InChIKeyXSNQUOLZPCTCSZ-GZMMTYOYSA-N
XLogP1.65
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol (CID 70142149) is [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol is Nc1ncnn2c([C@H]3CC[C@@H](CO)O3)cc(-c3nccs3)c12.
What is the InChIKey of [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol?
The InChIKey is XSNQUOLZPCTCSZ-GZMMTYOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c15-13-12-9(14-16-3-4-22-14)5-10(19(12)18-7-17-13)11-2-1-8(6-20)21-11/h3-5,7-8,11,20H,1-2,6H2,(H2,15,17,18)/t8-,11+/m0/s1.
What are the key properties of [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol?
[(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol has a molecular weight of 317.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 70142149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).