4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

C13H20N6O2S — CID 121151449

IUPAC4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H20N6O2S/c1-10-13(11(2)17(3)15-10)22(20,21)18-7-4-12(5-8-18)19-9-6-14-16-19/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyGOCUTMLKRJVVFO-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.65
Rot. Bonds3

About 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine

4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 121151449) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID121151449
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C13H20N6O2S/c1-10-13(11(2)17(3)15-10)22(20,21)18-7-4-12(5-8-18)19-9-6-14-16-19/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyGOCUTMLKRJVVFO-UHFFFAOYSA-N
XLogP0.65
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine (CID 121151449) is 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is GOCUTMLKRJVVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-10-13(11(2)17(3)15-10)22(20,21)18-7-4-12(5-8-18)19-9-6-14-16-19/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine?
4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 324.41 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 121151449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).