1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol

C10H19N3O3 — CID 90985884

IUPAC1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cn(CCOCCO)nn1
InChIInChI=1S/C10H19N3O3/c1-10(2,15)7-9-8-13(12-11-9)3-5-16-6-4-14/h8,14-15H,3-7H2,1-2H3
InChIKeyULLLWHOKNLSPAW-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.40
Rot. Bonds7

About 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol

1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol (PubChem CID 90985884) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
PubChem CID90985884
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1cn(CCOCCO)nn1
InChIInChI=1S/C10H19N3O3/c1-10(2,15)7-9-8-13(12-11-9)3-5-16-6-4-14/h8,14-15H,3-7H2,1-2H3
InChIKeyULLLWHOKNLSPAW-UHFFFAOYSA-N
XLogP-0.40
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol (CID 90985884) is 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol is CC(C)(O)Cc1cn(CCOCCO)nn1.
What is the InChIKey of 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
The InChIKey is ULLLWHOKNLSPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,15)7-9-8-13(12-11-9)3-5-16-6-4-14/h8,14-15H,3-7H2,1-2H3.
What are the key properties of 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol?
1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol has a molecular weight of 229.28 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 90985884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).