1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole

C8H12N6O — CID 12554289

IUPAC1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole
SMILESc1cn(CCOCCn2ccnn2)nn1
InChIInChI=1S/C8H12N6O/c1-3-13(11-9-1)5-7-15-8-6-14-4-2-10-12-14/h1-4H,5-8H2
InChIKeyUMCAMWQTEPQCKJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.41
Rot. Bonds6

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

1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole (PubChem CID 12554289) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole
PubChem CID12554289
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole
SMILESc1cn(CCOCCn2ccnn2)nn1
InChIInChI=1S/C8H12N6O/c1-3-13(11-9-1)5-7-15-8-6-14-4-2-10-12-14/h1-4H,5-8H2
InChIKeyUMCAMWQTEPQCKJ-UHFFFAOYSA-N
XLogP-0.41
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
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 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole?
The IUPAC name of 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole (CID 12554289) is 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole.
What is the SMILES notation for 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole?
The canonical SMILES for 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole is c1cn(CCOCCn2ccnn2)nn1.
What is the InChIKey of 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole?
The InChIKey is UMCAMWQTEPQCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-3-13(11-9-1)5-7-15-8-6-14-4-2-10-12-14/h1-4H,5-8H2.
What are the key properties of 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole?
1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole has a molecular weight of 208.22 g/mol, XLogP of -0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(triazol-1-yl)ethoxy]ethyl]triazole is sourced from PubChem (CID 12554289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).