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

C6H10N6O — CID 138714491

IUPAC1-[2-(2-azidoethoxy)ethyl]triazole
SMILES[N-]=[N+]=NCCOCCn1ccnn1
InChIInChI=1S/C6H10N6O/c7-10-8-2-5-13-6-4-12-3-1-9-11-12/h1,3H,2,4-6H2
InChIKeyARNMUCQHIMKGMI-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.61
Rot. Bonds6

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

1-[2-(2-azidoethoxy)ethyl]triazole (PubChem CID 138714491) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-[2-(2-azidoethoxy)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(2-azidoethoxy)ethyl]triazole
PubChem CID138714491
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name1-[2-(2-azidoethoxy)ethyl]triazole
SMILES[N-]=[N+]=NCCOCCn1ccnn1
InChIInChI=1S/C6H10N6O/c7-10-8-2-5-13-6-4-12-3-1-9-11-12/h1,3H,2,4-6H2
InChIKeyARNMUCQHIMKGMI-UHFFFAOYSA-N
XLogP0.61
TPSA88.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azidoethoxy)ethyl]triazole?
The IUPAC name of 1-[2-(2-azidoethoxy)ethyl]triazole (CID 138714491) is 1-[2-(2-azidoethoxy)ethyl]triazole.
What is the SMILES notation for 1-[2-(2-azidoethoxy)ethyl]triazole?
The canonical SMILES for 1-[2-(2-azidoethoxy)ethyl]triazole is [N-]=[N+]=NCCOCCn1ccnn1.
What is the InChIKey of 1-[2-(2-azidoethoxy)ethyl]triazole?
The InChIKey is ARNMUCQHIMKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c7-10-8-2-5-13-6-4-12-3-1-9-11-12/h1,3H,2,4-6H2.
What are the key properties of 1-[2-(2-azidoethoxy)ethyl]triazole?
1-[2-(2-azidoethoxy)ethyl]triazole has a molecular weight of 182.19 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azidoethoxy)ethyl]triazole is sourced from PubChem (CID 138714491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).