2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol

C10H19N3O3 — CID 50988016

IUPAC2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol
SMILESCCOC(Cn1cc(CCO)nn1)OCC
InChIInChI=1S/C10H19N3O3/c1-3-15-10(16-4-2)8-13-7-9(5-6-14)11-12-13/h7,10,14H,3-6,8H2,1-2H3
InChIKeyUTZMWKXSRLACMA-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.21
Rot. Bonds8

About 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol

2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol (PubChem CID 50988016) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol
PubChem CID50988016
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol
SMILESCCOC(Cn1cc(CCO)nn1)OCC
InChIInChI=1S/C10H19N3O3/c1-3-15-10(16-4-2)8-13-7-9(5-6-14)11-12-13/h7,10,14H,3-6,8H2,1-2H3
InChIKeyUTZMWKXSRLACMA-UHFFFAOYSA-N
XLogP0.21
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
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

[1-(2,2-diethoxyethyl)-1H-1,2,3-triazol-4-yl]methanol
CID 50988017
methyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756732
tert-butyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 121552734
2-[4-(2-Hydroxyethyl)-1h-1,2,3-triazol-1-yl]-ethane-1,1-diol
CID 134693278
1-[1-(2,2-Diethoxyethyl)-1h-1,2,3-triazol-1-yl]-ethanol
CID 134693309
4-Butyl-1-(2,2-diethoxyethyl)-1h-1,2,3-triazole
CID 134693317
2-[1-(2,2-Diethoxyethyl)-1h-1,2,3-triazol-1-yl]-propan-2-ol
CID 134693319
1-[1-(2,2-Diethoxyethyl)-1h-1,2,3-triazol-1-yl]-cyclohexanol
CID 134693368
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]triazol-4-yl]ethanol
CID 62401303
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]triazol-4-yl]ethanol
CID 62401877
2-[1-[2-(Trifluoromethoxy)ethyl]triazol-4-yl]ethanol
CID 65803520
3-[4-(Diethoxymethyl)triazol-1-yl]propan-1-ol
CID 11550396

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol (CID 50988016) is 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol is CCOC(Cn1cc(CCO)nn1)OCC.
What is the InChIKey of 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol?
The InChIKey is UTZMWKXSRLACMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-15-10(16-4-2)8-13-7-9(5-6-14)11-12-13/h7,10,14H,3-6,8H2,1-2H3.
What are the key properties of 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol?
2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol has a molecular weight of 229.28 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-diethoxyethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 50988016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).