(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol

C10H13N5O4 — CID 59330644

IUPAC(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccc(-c3cn[nH]n3)n2)[C@@H](O)C1O
InChIInChI=1S/C10H13N5O4/c16-4-7-8(17)9(18)10(19-7)15-2-1-5(13-15)6-3-11-14-12-6/h1-3,7-10,16-18H,4H2,(H,11,12,14)/t7-,8?,9+,10-/m1/s1
InChIKeyWFUWMILPECETKX-JOUUOIQHSA-N
MW267.25 g/mol
LogP-1.72
Rot. Bonds3

About (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol

(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol (PubChem CID 59330644) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol
PubChem CID59330644
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2ccc(-c3cn[nH]n3)n2)[C@@H](O)C1O
InChIInChI=1S/C10H13N5O4/c16-4-7-8(17)9(18)10(19-7)15-2-1-5(13-15)6-3-11-14-12-6/h1-3,7-10,16-18H,4H2,(H,11,12,14)/t7-,8?,9+,10-/m1/s1
InChIKeyWFUWMILPECETKX-JOUUOIQHSA-N
XLogP-1.72
TPSA129.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]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,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol?
The IUPAC name of (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol (CID 59330644) is (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol is OC[C@H]1O[C@@H](n2ccc(-c3cn[nH]n3)n2)[C@@H](O)C1O.
What is the InChIKey of (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol?
The InChIKey is WFUWMILPECETKX-JOUUOIQHSA-N. The full InChI is InChI=1S/C10H13N5O4/c16-4-7-8(17)9(18)10(19-7)15-2-1-5(13-15)6-3-11-14-12-6/h1-3,7-10,16-18H,4H2,(H,11,12,14)/t7-,8?,9+,10-/m1/s1.
What are the key properties of (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol?
(2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol has a molecular weight of 267.25 g/mol, XLogP of -1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-(hydroxymethyl)-5-[3-(2H-triazol-4-yl)pyrazol-1-yl]oxolane-3,4-diol is sourced from PubChem (CID 59330644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).