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

C11H19N3O4 — CID 10801133

IUPAC(2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1CC
InChIInChI=1S/C11H19N3O4/c1-3-7-12-11(13-14(7)4-2)10-9(17)8(16)6(5-15)18-10/h6,8-10,15-17H,3-5H2,1-2H3/t6-,8-,9-,10-/m1/s1
InChIKeyLPKFKDCTHUWFAZ-PEBGCTIMSA-N
MW257.29 g/mol
LogP-0.99
Rot. Bonds4

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

(2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 10801133) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID10801133
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1CC
InChIInChI=1S/C11H19N3O4/c1-3-7-12-11(13-14(7)4-2)10-9(17)8(16)6(5-15)18-10/h6,8-10,15-17H,3-5H2,1-2H3/t6-,8-,9-,10-/m1/s1
InChIKeyLPKFKDCTHUWFAZ-PEBGCTIMSA-N
XLogP-0.99
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-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 (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 10801133) is (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CCc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1CC.
What is the InChIKey of (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is LPKFKDCTHUWFAZ-PEBGCTIMSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-3-7-12-11(13-14(7)4-2)10-9(17)8(16)6(5-15)18-10/h6,8-10,15-17H,3-5H2,1-2H3/t6-,8-,9-,10-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 257.29 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(1,5-diethyl-1,2,4-triazol-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 10801133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).