2-(4-cyclopropyltriazol-1-yl)ethyl acetate

C9H13N3O2 — CID 152581390

IUPAC2-(4-cyclopropyltriazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1cc(C2CC2)nn1
InChIInChI=1S/C9H13N3O2/c1-7(13)14-5-4-12-6-9(10-11-12)8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyYTNWBNICKKRYDD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds4

About 2-(4-cyclopropyltriazol-1-yl)ethyl acetate

2-(4-cyclopropyltriazol-1-yl)ethyl acetate (PubChem CID 152581390) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)ethyl acetate
PubChem CID152581390
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(4-cyclopropyltriazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1cc(C2CC2)nn1
InChIInChI=1S/C9H13N3O2/c1-7(13)14-5-4-12-6-9(10-11-12)8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyYTNWBNICKKRYDD-UHFFFAOYSA-N
XLogP0.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)ethyl acetate?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)ethyl acetate (CID 152581390) is 2-(4-cyclopropyltriazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)ethyl acetate is CC(=O)OCCn1cc(C2CC2)nn1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)ethyl acetate?
The InChIKey is YTNWBNICKKRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(13)14-5-4-12-6-9(10-11-12)8-2-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)ethyl acetate?
2-(4-cyclopropyltriazol-1-yl)ethyl acetate has a molecular weight of 195.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)ethyl acetate is sourced from PubChem (CID 152581390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).