2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol

C6H11N3O3 — CID 134693279

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol
SMILESCC(O)c1cn(CC(O)O)nn1
InChIInChI=1S/C6H11N3O3/c1-4(10)5-2-9(8-7-5)3-6(11)12/h2,4,6,10-12H,3H2,1H3
InChIKeyLGMJUXYOUSJPAF-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.36
Rot. Bonds3

About 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol

2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol (PubChem CID 134693279) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol
PubChem CID134693279
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol
SMILESCC(O)c1cn(CC(O)O)nn1
InChIInChI=1S/C6H11N3O3/c1-4(10)5-2-9(8-7-5)3-6(11)12/h2,4,6,10-12H,3H2,1H3
InChIKeyLGMJUXYOUSJPAF-UHFFFAOYSA-N
XLogP-1.36
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-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 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol (CID 134693279) is 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol is CC(O)c1cn(CC(O)O)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
The InChIKey is LGMJUXYOUSJPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-4(10)5-2-9(8-7-5)3-6(11)12/h2,4,6,10-12H,3H2,1H3.
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol has a molecular weight of 173.17 g/mol, XLogP of -1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]ethane-1,1-diol is sourced from PubChem (CID 134693279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).