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

C6H11N3O3 — CID 134693278

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol
SMILESOCCc1cn(CC(O)O)nn1
InChIInChI=1S/C6H11N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,6,10-12H,1-2,4H2
InChIKeyUNHFRCWKGOCPCC-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.88
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol (PubChem CID 134693278) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol
PubChem CID134693278
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol
SMILESOCCc1cn(CC(O)O)nn1
InChIInChI=1S/C6H11N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,6,10-12H,1-2,4H2
InChIKeyUNHFRCWKGOCPCC-UHFFFAOYSA-N
XLogP-1.88
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Hydroxyethyl)-1H-1,2,3-triazole-1-acetic acid
CID 80703719
2-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-ol
CID 114690055
methyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756732
1-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 83675334
2-[1-(2,2-diethoxyethyl)-1H-1,2,3-triazol-4-yl]ethan-1-ol
CID 50988016
2-[1-(3-Methoxy-3-methylbutyl)triazol-4-yl]ethanol
CID 103036596
2-(1-(2-(Methylthio)ethyl)-1h-1,2,3-triazol-4-yl)ethanol
CID 116101178
2-[4-(1-Hydroxyethyl)-1h-1,2,3-triazol-1-yl]-ethane-1,1-diol
CID 134693279
2-(4-Butyl-1h-1,2,3-triazol-1-yl)ethane-1,1-diol
CID 134693282
2-[4-(2-Hydroxyprop-2-yl)-1h-1,2,3-triazol-1-yl]-ethane-1,1-diol
CID 134693285
1-[1-(2,2-Diethoxyethyl)-1h-1,2,3-triazol-1-yl]-ethanol
CID 134693309
2-[1-(2,2-Diethoxyethyl)-1h-1,2,3-triazol-1-yl]-propan-2-ol
CID 134693319

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol (CID 134693278) is 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol is OCCc1cn(CC(O)O)nn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
The InChIKey is UNHFRCWKGOCPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c10-2-1-5-3-9(8-7-5)4-6(11)12/h3,6,10-12H,1-2,4H2.
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol?
2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol has a molecular weight of 173.17 g/mol, XLogP of -1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]ethane-1,1-diol is sourced from PubChem (CID 134693278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).