3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine

C15H21N5O2S — CID 87052146

IUPAC3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine
SMILESCCCn1cnnc1C1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H21N5O2S/c1-2-9-19-12-17-18-15(19)14-7-3-4-10-20(14)23(21,22)13-6-5-8-16-11-13/h5-6,8,11-12,14H,2-4,7,9-10H2,1H3
InChIKeyVYXNSCZTZWWHLZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.00
Rot. Bonds5

About 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine

3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine (PubChem CID 87052146) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine
PubChem CID87052146
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine
SMILESCCCn1cnnc1C1CCCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H21N5O2S/c1-2-9-19-12-17-18-15(19)14-7-3-4-10-20(14)23(21,22)13-6-5-8-16-11-13/h5-6,8,11-12,14H,2-4,7,9-10H2,1H3
InChIKeyVYXNSCZTZWWHLZ-UHFFFAOYSA-N
XLogP2.00
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine (CID 87052146) is 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine is CCCn1cnnc1C1CCCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is VYXNSCZTZWWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-2-9-19-12-17-18-15(19)14-7-3-4-10-20(14)23(21,22)13-6-5-8-16-11-13/h5-6,8,11-12,14H,2-4,7,9-10H2,1H3.
What are the key properties of 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine?
3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 335.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 87052146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).