ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate

C10H18N4O3 — CID 103263474

IUPACethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCCn1ccnn1
InChIInChI=1S/C10H18N4O3/c1-2-17-10(15)9-16-8-5-11-3-6-14-7-4-12-13-14/h4,7,11H,2-3,5-6,8-9H2,1H3
InChIKeyGJZUAQGDCNSTKH-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.55
Rot. Bonds9

About ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate

ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate (PubChem CID 103263474) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate
PubChem CID103263474
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nameethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCCn1ccnn1
InChIInChI=1S/C10H18N4O3/c1-2-17-10(15)9-16-8-5-11-3-6-14-7-4-12-13-14/h4,7,11H,2-3,5-6,8-9H2,1H3
InChIKeyGJZUAQGDCNSTKH-UHFFFAOYSA-N
XLogP-0.55
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate (CID 103263474) is ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate is CCOC(=O)COCCNCCn1ccnn1.
What is the InChIKey of ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate?
The InChIKey is GJZUAQGDCNSTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-17-10(15)9-16-8-5-11-3-6-14-7-4-12-13-14/h4,7,11H,2-3,5-6,8-9H2,1H3.
What are the key properties of ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate?
ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate has a molecular weight of 242.28 g/mol, XLogP of -0.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(triazol-1-yl)ethylamino]ethoxy]acetate is sourced from PubChem (CID 103263474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).