2-(triazol-1-yl)ethyl acetate

C6H9N3O2 — CID 58803595

IUPAC2-(triazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ccnn1
InChIInChI=1S/C6H9N3O2/c1-6(10)11-5-4-9-3-2-7-8-9/h2-3H,4-5H2,1H3
InChIKeyNWZBGMYUWVKFII-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.16
Rot. Bonds3

About 2-(triazol-1-yl)ethyl acetate

2-(triazol-1-yl)ethyl acetate (PubChem CID 58803595) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(triazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(triazol-1-yl)ethyl acetate
PubChem CID58803595
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(triazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1ccnn1
InChIInChI=1S/C6H9N3O2/c1-6(10)11-5-4-9-3-2-7-8-9/h2-3H,4-5H2,1H3
InChIKeyNWZBGMYUWVKFII-UHFFFAOYSA-N
XLogP-0.16
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)ethyl acetate?
The IUPAC name of 2-(triazol-1-yl)ethyl acetate (CID 58803595) is 2-(triazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(triazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(triazol-1-yl)ethyl acetate is CC(=O)OCCn1ccnn1.
What is the InChIKey of 2-(triazol-1-yl)ethyl acetate?
The InChIKey is NWZBGMYUWVKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-6(10)11-5-4-9-3-2-7-8-9/h2-3H,4-5H2,1H3.
What are the key properties of 2-(triazol-1-yl)ethyl acetate?
2-(triazol-1-yl)ethyl acetate has a molecular weight of 155.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)ethyl acetate is sourced from PubChem (CID 58803595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).