1-[2-(2-methoxyethoxy)ethyl]triazole

C7H13N3O2 — CID 58803592

IUPAC1-[2-(2-methoxyethoxy)ethyl]triazole
SMILESCOCCOCCn1ccnn1
InChIInChI=1S/C7H13N3O2/c1-11-6-7-12-5-4-10-3-2-8-9-10/h2-3H,4-7H2,1H3
InChIKeyUOPDACQAEIOMEW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.06
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]triazole

1-[2-(2-methoxyethoxy)ethyl]triazole (PubChem CID 58803592) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]triazole
PubChem CID58803592
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]triazole
SMILESCOCCOCCn1ccnn1
InChIInChI=1S/C7H13N3O2/c1-11-6-7-12-5-4-10-3-2-8-9-10/h2-3H,4-7H2,1H3
InChIKeyUOPDACQAEIOMEW-UHFFFAOYSA-N
XLogP-0.06
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
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 1-[2-(2-methoxyethoxy)ethyl]triazole?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]triazole (CID 58803592) is 1-[2-(2-methoxyethoxy)ethyl]triazole.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]triazole?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]triazole is COCCOCCn1ccnn1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]triazole?
The InChIKey is UOPDACQAEIOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-11-6-7-12-5-4-10-3-2-8-9-10/h2-3H,4-7H2,1H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]triazole?
1-[2-(2-methoxyethoxy)ethyl]triazole has a molecular weight of 171.20 g/mol, XLogP of -0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]triazole is sourced from PubChem (CID 58803592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).