2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine

C8H16N4O2 — CID 171058783

IUPAC2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCn1ccnn1
InChIInChI=1S/C8H16N4O2/c9-1-5-13-7-8-14-6-4-12-3-2-10-11-12/h2-3H,1,4-9H2
InChIKeyAJZSSIRUDYTPPS-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.73
Rot. Bonds8

About 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine

2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine (PubChem CID 171058783) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine
PubChem CID171058783
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCn1ccnn1
InChIInChI=1S/C8H16N4O2/c9-1-5-13-7-8-14-6-4-12-3-2-10-11-12/h2-3H,1,4-9H2
InChIKeyAJZSSIRUDYTPPS-UHFFFAOYSA-N
XLogP-0.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine (CID 171058783) is 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine is NCCOCCOCCn1ccnn1.
What is the InChIKey of 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine?
The InChIKey is AJZSSIRUDYTPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-1-5-13-7-8-14-6-4-12-3-2-10-11-12/h2-3H,1,4-9H2.
What are the key properties of 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine?
2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine has a molecular weight of 200.24 g/mol, XLogP of -0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 171058783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).