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

C10H18N6O3 — CID 154016426

IUPAC1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole
SMILES[N-]=[N+]=NCCOCCOCCOCCn1ccnn1
InChIInChI=1S/C10H18N6O3/c11-14-12-2-5-17-7-9-19-10-8-18-6-4-16-3-1-13-15-16/h1,3H,2,4-10H2
InChIKeyZJMCMEJESLEGMR-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.64
Rot. Bonds12

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

1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole (PubChem CID 154016426) has the molecular formula C10H18N6O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole
PubChem CID154016426
Molecular FormulaC10H18N6O3
Molecular Weight270.29 g/mol
Exact Mass270.14
IUPAC Name1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole
SMILES[N-]=[N+]=NCCOCCOCCOCCn1ccnn1
InChIInChI=1S/C10H18N6O3/c11-14-12-2-5-17-7-9-19-10-8-18-6-4-16-3-1-13-15-16/h1,3H,2,4-10H2
InChIKeyZJMCMEJESLEGMR-UHFFFAOYSA-N
XLogP0.64
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.64
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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Related Compounds

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1-(2-Ethoxyethyl)triazole
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1-(2-Methoxyethoxymethyl)-1,2,3-triazole
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1-(2-Methoxyethyl)triazole
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O-[2-(triazol-1-yl)ethyl]hydroxylamine
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1-(2-Propan-2-yloxyethyl)triazole
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1-[2-(2-Methoxyethoxy)ethyl]triazole
CID 58803592
2-(Triazol-1-yl)ethyl acetate
CID 58803595
2-[2-(Triazol-1-yl)ethoxy]ethanol
CID 68023784
1-(1,3-Dimethoxypropan-2-yl)triazole
CID 70615679

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole?
The IUPAC name of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole (CID 154016426) is 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole.
What is the SMILES notation for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole?
The canonical SMILES for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole is [N-]=[N+]=NCCOCCOCCOCCn1ccnn1.
What is the InChIKey of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole?
The InChIKey is ZJMCMEJESLEGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3/c11-14-12-2-5-17-7-9-19-10-8-18-6-4-16-3-1-13-15-16/h1,3H,2,4-10H2.
What are the key properties of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole?
1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole has a molecular weight of 270.29 g/mol, XLogP of 0.64, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]triazole is sourced from PubChem (CID 154016426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).