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

C10H15N3O3 — CID 82202557

IUPACpropyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
SMILESCCCOC(=O)Cn1nnc(C(C)=O)c1C
InChIInChI=1S/C10H15N3O3/c1-4-5-16-9(15)6-13-7(2)10(8(3)14)11-12-13/h4-6H2,1-3H3
InChIKeyOYHFJSKCVNONHE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.74
Rot. Bonds5

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

propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate (PubChem CID 82202557) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
PubChem CID82202557
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namepropyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
SMILESCCCOC(=O)Cn1nnc(C(C)=O)c1C
InChIInChI=1S/C10H15N3O3/c1-4-5-16-9(15)6-13-7(2)10(8(3)14)11-12-13/h4-6H2,1-3H3
InChIKeyOYHFJSKCVNONHE-UHFFFAOYSA-N
XLogP0.74
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The IUPAC name of propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate (CID 82202557) is propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate.
What is the SMILES notation for propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The canonical SMILES for propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate is CCCOC(=O)Cn1nnc(C(C)=O)c1C.
What is the InChIKey of propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The InChIKey is OYHFJSKCVNONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-5-16-9(15)6-13-7(2)10(8(3)14)11-12-13/h4-6H2,1-3H3.
What are the key properties of propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate has a molecular weight of 225.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate is sourced from PubChem (CID 82202557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).