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

C14H22N4O — CID 121189855

IUPAC1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H22N4O/c1-14(2,3)6-13(19)17-7-11(8-17)18-9-12(15-16-18)10-4-5-10/h9-11H,4-8H2,1-3H3
InChIKeyQUZPKWNHZGBZRA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.98
Rot. Bonds3

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

1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 121189855) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID121189855
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C14H22N4O/c1-14(2,3)6-13(19)17-7-11(8-17)18-9-12(15-16-18)10-4-5-10/h9-11H,4-8H2,1-3H3
InChIKeyQUZPKWNHZGBZRA-UHFFFAOYSA-N
XLogP1.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190066
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-phenylpropan-1-one
CID 121189876
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 121190130
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
4-[3-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3-oxopropyl]benzonitrile
CID 121190003
2-(1,3-benzodioxol-5-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190121
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121189861
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one (CID 121189855) is 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is QUZPKWNHZGBZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)6-13(19)17-7-11(8-17)18-9-12(15-16-18)10-4-5-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 262.36 g/mol, XLogP of 1.98, 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]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 121189855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).