(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H19N3O4 — CID 25098669

IUPAC(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O4/c1-2-3-4-7-5-14(13-12-7)11-10(17)9(16)8(6-15)18-11/h5,8-11,15-17H,2-4,6H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKeyARGQTTKAQQWPDW-GWOFURMSSA-N
MW257.29 g/mol
LogP-0.77
Rot. Bonds5

About (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 25098669) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID25098669
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O4/c1-2-3-4-7-5-14(13-12-7)11-10(17)9(16)8(6-15)18-11/h5,8-11,15-17H,2-4,6H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKeyARGQTTKAQQWPDW-GWOFURMSSA-N
XLogP-0.77
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 25098669) is (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CCCCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1.
What is the InChIKey of (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ARGQTTKAQQWPDW-GWOFURMSSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-2-3-4-7-5-14(13-12-7)11-10(17)9(16)8(6-15)18-11/h5,8-11,15-17H,2-4,6H2,1H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 257.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 25098669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).