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

C13H20N4O — CID 121189851

IUPAC1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C13H20N4O/c1-2-3-4-13(18)16-7-11(8-16)17-9-12(14-15-17)10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyJMZJLWUKXHGUDT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds5

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

1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one (PubChem CID 121189851) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one
PubChem CID121189851
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C13H20N4O/c1-2-3-4-13(18)16-7-11(8-16)17-9-12(14-15-17)10-5-6-10/h9-11H,2-8H2,1H3
InChIKeyJMZJLWUKXHGUDT-UHFFFAOYSA-N
XLogP1.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one (CID 121189851) is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one is CCCCC(=O)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one?
The InChIKey is JMZJLWUKXHGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-3-4-13(18)16-7-11(8-16)17-9-12(14-15-17)10-5-6-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one?
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]pentan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.73, 5 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]pentan-1-one is sourced from PubChem (CID 121189851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).