(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol

C14H18N4O5 — CID 102277498

IUPAC(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCCn2cc(-c3ccccn3)nn2)OC[C@H]1O
InChIInChI=1S/C14H18N4O5/c19-11-8-23-14(13(21)12(11)20)22-6-5-18-7-10(16-17-18)9-3-1-2-4-15-9/h1-4,7,11-14,19-21H,5-6,8H2/t11-,12+,13-,14-/m1/s1
InChIKeyUZLGRIJZIZHBCL-XJFOESAGSA-N
MW322.32 g/mol
LogP-1.20
Rot. Bonds5

About (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol

(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol (PubChem CID 102277498) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
PubChem CID102277498
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCCn2cc(-c3ccccn3)nn2)OC[C@H]1O
InChIInChI=1S/C14H18N4O5/c19-11-8-23-14(13(21)12(11)20)22-6-5-18-7-10(16-17-18)9-3-1-2-4-15-9/h1-4,7,11-14,19-21H,5-6,8H2/t11-,12+,13-,14-/m1/s1
InChIKeyUZLGRIJZIZHBCL-XJFOESAGSA-N
XLogP-1.20
TPSA122.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxymethyl]oxan-3-yl] acetate
CID 102277496
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102169491
7-(4-pyridin-2-yltriazol-1-yl)heptan-2-one
CID 167561665
trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
CID 71725787
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-2-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885335
2-[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]quinoxaline
CID 154782029
(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[2-[4-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59053329
(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
CID 122203979
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-pyridin-2-yltriazol-1-yl)ethyl]oxan-3-yl]benzamide
CID 54644668
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol (CID 102277498) is (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](OCCn2cc(-c3ccccn3)nn2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
The InChIKey is UZLGRIJZIZHBCL-XJFOESAGSA-N. The full InChI is InChI=1S/C14H18N4O5/c19-11-8-23-14(13(21)12(11)20)22-6-5-18-7-10(16-17-18)9-3-1-2-4-15-9/h1-4,7,11-14,19-21H,5-6,8H2/t11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol has a molecular weight of 322.32 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102277498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).