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

C6H12N4O — CID 86262487

IUPAC2-[2-(triazol-1-yl)ethoxy]ethanamine
SMILESNCCOCCn1ccnn1
InChIInChI=1S/C6H12N4O/c7-1-5-11-6-4-10-3-2-8-9-10/h2-3H,1,4-7H2
InChIKeyUQBKTEVGUUMKTL-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.75
Rot. Bonds5

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

2-[2-(triazol-1-yl)ethoxy]ethanamine (PubChem CID 86262487) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-[2-(triazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(triazol-1-yl)ethoxy]ethanamine
PubChem CID86262487
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-[2-(triazol-1-yl)ethoxy]ethanamine
SMILESNCCOCCn1ccnn1
InChIInChI=1S/C6H12N4O/c7-1-5-11-6-4-10-3-2-8-9-10/h2-3H,1,4-7H2
InChIKeyUQBKTEVGUUMKTL-UHFFFAOYSA-N
XLogP-0.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(triazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(triazol-1-yl)ethoxy]ethanamine (CID 86262487) is 2-[2-(triazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(triazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(triazol-1-yl)ethoxy]ethanamine is NCCOCCn1ccnn1.
What is the InChIKey of 2-[2-(triazol-1-yl)ethoxy]ethanamine?
The InChIKey is UQBKTEVGUUMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-1-5-11-6-4-10-3-2-8-9-10/h2-3H,1,4-7H2.
What are the key properties of 2-[2-(triazol-1-yl)ethoxy]ethanamine?
2-[2-(triazol-1-yl)ethoxy]ethanamine has a molecular weight of 156.19 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(triazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 86262487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).