4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole

C8H12N6O — CID 57017940

IUPAC4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole
SMILESc1n[nH]nc1CCOCCc1cn[nH]n1
InChIInChI=1S/C8H12N6O/c1(7-5-9-13-11-7)3-15-4-2-8-6-10-14-12-8/h5-6H,1-4H2,(H,9,11,13)(H,10,12,14)
InChIKeyMUDUSQJTSLCVJS-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.28
Rot. Bonds6

About 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole

4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole (PubChem CID 57017940) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole
PubChem CID57017940
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole
SMILESc1n[nH]nc1CCOCCc1cn[nH]n1
InChIInChI=1S/C8H12N6O/c1(7-5-9-13-11-7)3-15-4-2-8-6-10-14-12-8/h5-6H,1-4H2,(H,9,11,13)(H,10,12,14)
InChIKeyMUDUSQJTSLCVJS-UHFFFAOYSA-N
XLogP-0.28
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole?
The IUPAC name of 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole (CID 57017940) is 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole.
What is the SMILES notation for 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole?
The canonical SMILES for 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole is c1n[nH]nc1CCOCCc1cn[nH]n1.
What is the InChIKey of 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole?
The InChIKey is MUDUSQJTSLCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1(7-5-9-13-11-7)3-15-4-2-8-6-10-14-12-8/h5-6H,1-4H2,(H,9,11,13)(H,10,12,14).
What are the key properties of 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole?
4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole has a molecular weight of 208.22 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2H-triazol-4-yl)ethoxy]ethyl]-2H-triazole is sourced from PubChem (CID 57017940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).