4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole

C11H15F3N4O2S — CID 121190381

IUPAC4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole
SMILESO=S(=O)(CCC(F)(F)F)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H15F3N4O2S/c12-11(13,14)3-4-21(19,20)17-5-9(6-17)18-7-10(15-16-18)8-1-2-8/h7-9H,1-6H2
InChIKeyUWAPBAFQROWQGL-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.29
Rot. Bonds5

About 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole

4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole (PubChem CID 121190381) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole
PubChem CID121190381
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole
SMILESO=S(=O)(CCC(F)(F)F)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H15F3N4O2S/c12-11(13,14)3-4-21(19,20)17-5-9(6-17)18-7-10(15-16-18)8-1-2-8/h7-9H,1-6H2
InChIKeyUWAPBAFQROWQGL-UHFFFAOYSA-N
XLogP1.29
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-1-[1-(2-methylpropylsulfonyl)azetidin-3-yl]triazole
CID 121190273
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
4-cyclopropyl-1-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]triazole
CID 121190330
1-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-4-cyclopropyltriazole
CID 121190319
3-(4-cyclopropyltriazol-1-yl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121190795
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 121190130
4-cyclopropyl-1-[1-[(4-methylphenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121190836
4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 121189855
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
1,4-dicyclohexyltriazole
CID 46204135
4-cyclopropyl-1-[1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylazetidin-3-yl]triazole
CID 121190386

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole (CID 121190381) is 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole is O=S(=O)(CCC(F)(F)F)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole?
The InChIKey is UWAPBAFQROWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c12-11(13,14)3-4-21(19,20)17-5-9(6-17)18-7-10(15-16-18)8-1-2-8/h7-9H,1-6H2.
What are the key properties of 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole?
4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole has a molecular weight of 324.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-(3,3,3-trifluoropropylsulfonyl)azetidin-3-yl]triazole is sourced from PubChem (CID 121190381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).