2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate

C11H17N3O4 — CID 82202556

IUPAC2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
SMILESCCOCCOC(=O)Cn1nnc(C(C)=O)c1C
InChIInChI=1S/C11H17N3O4/c1-4-17-5-6-18-10(16)7-14-8(2)11(9(3)15)12-13-14/h4-7H2,1-3H3
InChIKeyFLDWGILAHPXQGK-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.37
Rot. Bonds7

About 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate

2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate (PubChem CID 82202556) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
PubChem CID82202556
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
SMILESCCOCCOC(=O)Cn1nnc(C(C)=O)c1C
InChIInChI=1S/C11H17N3O4/c1-4-17-5-6-18-10(16)7-14-8(2)11(9(3)15)12-13-14/h4-7H2,1-3H3
InChIKeyFLDWGILAHPXQGK-UHFFFAOYSA-N
XLogP0.37
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.37
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 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The IUPAC name of 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate (CID 82202556) is 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate is CCOCCOC(=O)Cn1nnc(C(C)=O)c1C.
What is the InChIKey of 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The InChIKey is FLDWGILAHPXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-17-5-6-18-10(16)7-14-8(2)11(9(3)15)12-13-14/h4-7H2,1-3H3.
What are the key properties of 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate has a molecular weight of 255.27 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate is sourced from PubChem (CID 82202556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).