1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one

C11H16N4O — CID 121189847

IUPAC1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H16N4O/c1-2-11(16)14-5-9(6-14)15-7-10(12-13-15)8-3-4-8/h7-9H,2-6H2,1H3
InChIKeyXWFXHYLFYNOZNS-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds3

About 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one

1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one (PubChem CID 121189847) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one
PubChem CID121189847
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H16N4O/c1-2-11(16)14-5-9(6-14)15-7-10(12-13-15)8-3-4-8/h7-9H,2-6H2,1H3
InChIKeyXWFXHYLFYNOZNS-UHFFFAOYSA-N
XLogP0.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one (CID 121189847) is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one is CCC(=O)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one?
The InChIKey is XWFXHYLFYNOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-11(16)14-5-9(6-14)15-7-10(12-13-15)8-3-4-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one?
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one has a molecular weight of 220.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 121189847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).