2-(triazol-1-ylmethoxy)ethanol

C5H9N3O2 — CID 14895600

IUPAC2-(triazol-1-ylmethoxy)ethanol
SMILESOCCOCn1ccnn1
InChIInChI=1S/C5H9N3O2/c9-3-4-10-5-8-2-1-6-7-8/h1-2,9H,3-5H2
InChIKeyZRLILILNOSSDLN-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.76
Rot. Bonds4

About 2-(triazol-1-ylmethoxy)ethanol

2-(triazol-1-ylmethoxy)ethanol (PubChem CID 14895600) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-(triazol-1-ylmethoxy)ethanol.

Molecular Properties

Compound Name2-(triazol-1-ylmethoxy)ethanol
PubChem CID14895600
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-(triazol-1-ylmethoxy)ethanol
SMILESOCCOCn1ccnn1
InChIInChI=1S/C5H9N3O2/c9-3-4-10-5-8-2-1-6-7-8/h1-2,9H,3-5H2
InChIKeyZRLILILNOSSDLN-UHFFFAOYSA-N
XLogP-0.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(triazol-1-ylmethoxy)ethanol?
The IUPAC name of 2-(triazol-1-ylmethoxy)ethanol (CID 14895600) is 2-(triazol-1-ylmethoxy)ethanol.
What is the SMILES notation for 2-(triazol-1-ylmethoxy)ethanol?
The canonical SMILES for 2-(triazol-1-ylmethoxy)ethanol is OCCOCn1ccnn1.
What is the InChIKey of 2-(triazol-1-ylmethoxy)ethanol?
The InChIKey is ZRLILILNOSSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c9-3-4-10-5-8-2-1-6-7-8/h1-2,9H,3-5H2.
What are the key properties of 2-(triazol-1-ylmethoxy)ethanol?
2-(triazol-1-ylmethoxy)ethanol has a molecular weight of 143.15 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-ylmethoxy)ethanol is sourced from PubChem (CID 14895600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).