1-(2-methoxyethoxymethyl)triazole

C6H11N3O2 — CID 19365953

IUPAC1-(2-methoxyethoxymethyl)triazole
SMILESCOCCOCn1ccnn1
InChIInChI=1S/C6H11N3O2/c1-10-4-5-11-6-9-3-2-7-8-9/h2-3H,4-6H2,1H3
InChIKeyUXNYILBEUOWJDI-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.10
Rot. Bonds5

About 1-(2-methoxyethoxymethyl)triazole

1-(2-methoxyethoxymethyl)triazole (PubChem CID 19365953) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)triazole.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)triazole
PubChem CID19365953
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name1-(2-methoxyethoxymethyl)triazole
SMILESCOCCOCn1ccnn1
InChIInChI=1S/C6H11N3O2/c1-10-4-5-11-6-9-3-2-7-8-9/h2-3H,4-6H2,1H3
InChIKeyUXNYILBEUOWJDI-UHFFFAOYSA-N
XLogP-0.10
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.10
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-methoxyethoxymethyl)triazole?
The IUPAC name of 1-(2-methoxyethoxymethyl)triazole (CID 19365953) is 1-(2-methoxyethoxymethyl)triazole.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)triazole?
The canonical SMILES for 1-(2-methoxyethoxymethyl)triazole is COCCOCn1ccnn1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)triazole?
The InChIKey is UXNYILBEUOWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-10-4-5-11-6-9-3-2-7-8-9/h2-3H,4-6H2,1H3.
What are the key properties of 1-(2-methoxyethoxymethyl)triazole?
1-(2-methoxyethoxymethyl)triazole has a molecular weight of 157.17 g/mol, XLogP of -0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)triazole is sourced from PubChem (CID 19365953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).