4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole

C14H24N6O3 — CID 118261236

IUPAC4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole
SMILES[N-]=[N+]=NCCOCCOCCOCc1cn(CC2CCC2)nn1
InChIInChI=1S/C14H24N6O3/c15-18-16-4-5-21-6-7-22-8-9-23-12-14-11-20(19-17-14)10-13-2-1-3-13/h11,13H,1-10,12H2
InChIKeyWZPVUGSCWUOFLB-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.94
Rot. Bonds13

About 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole

4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole (PubChem CID 118261236) has the molecular formula C14H24N6O3 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole.

Molecular Properties

Compound Name4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole
PubChem CID118261236
Molecular FormulaC14H24N6O3
Molecular Weight324.39 g/mol
Exact Mass324.19
IUPAC Name4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole
SMILES[N-]=[N+]=NCCOCCOCCOCc1cn(CC2CCC2)nn1
InChIInChI=1S/C14H24N6O3/c15-18-16-4-5-21-6-7-22-8-9-23-12-14-11-20(19-17-14)10-13-2-1-3-13/h11,13H,1-10,12H2
InChIKeyWZPVUGSCWUOFLB-UHFFFAOYSA-N
XLogP1.94
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole?
The IUPAC name of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole (CID 118261236) is 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole.
What is the SMILES notation for 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole?
The canonical SMILES for 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole is [N-]=[N+]=NCCOCCOCCOCc1cn(CC2CCC2)nn1.
What is the InChIKey of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole?
The InChIKey is WZPVUGSCWUOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3/c15-18-16-4-5-21-6-7-22-8-9-23-12-14-11-20(19-17-14)10-13-2-1-3-13/h11,13H,1-10,12H2.
What are the key properties of 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole?
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole has a molecular weight of 324.39 g/mol, XLogP of 1.94, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole is sourced from PubChem (CID 118261236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).