(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol

C9H11FN6O3 — CID 90663654

IUPAC(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(F)nc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H11FN6O3/c10-9-12-7(11)6-8(13-9)16(15-14-6)5-1-3(18)4(2-17)19-5/h3-5,17-18H,1-2H2,(H2,11,12,13)/t3-,4+,5+/m0/s1
InChIKeyKGKZDMRKMUNEDN-VPENINKCSA-N
MW270.22 g/mol
LogP-1.42
Rot. Bonds2

About (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 90663654) has the molecular formula C9H11FN6O3 and a molecular weight of 270.22 g/mol. Its IUPAC name is (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID90663654
Molecular FormulaC9H11FN6O3
Molecular Weight270.22 g/mol
Exact Mass270.09
IUPAC Name(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(F)nc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H11FN6O3/c10-9-12-7(11)6-8(13-9)16(15-14-6)5-1-3(18)4(2-17)19-5/h3-5,17-18H,1-2H2,(H2,11,12,13)/t3-,4+,5+/m0/s1
InChIKeyKGKZDMRKMUNEDN-VPENINKCSA-N
XLogP-1.42
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4S,5R)-2-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54041813
5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154716723
(2R,3S,5R)-5-(4-aminobenzotriazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 639409
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
CID 57318996
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
N-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-oxo-6H-triazolo[4,5-d]pyrimidin-5-yl]-2-methylpropanamide
CID 163646314
(2R,5R)-5-(6-amino-2-iodopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 57002489
(2S,3S,4S,5R)-2-(7-amino-5-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90673514
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 154716223
(2R,3R,4R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46936980

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 90663654) is (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1nc(F)nc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is KGKZDMRKMUNEDN-VPENINKCSA-N. The full InChI is InChI=1S/C9H11FN6O3/c10-9-12-7(11)6-8(13-9)16(15-14-6)5-1-3(18)4(2-17)19-5/h3-5,17-18H,1-2H2,(H2,11,12,13)/t3-,4+,5+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 270.22 g/mol, XLogP of -1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 90663654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).