3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C12H12F3N5O — CID 175662065

IUPAC3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cncc(C3CCNCC3)n2)no1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-19-10(20-21-11)9-6-17-5-8(18-9)7-1-3-16-4-2-7/h5-7,16H,1-4H2
InChIKeyPUQPSSBPLUHQCR-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.01
Rot. Bonds2

About 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 175662065) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID175662065
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1nc(-c2cncc(C3CCNCC3)n2)no1
InChIInChI=1S/C12H12F3N5O/c13-12(14,15)11-19-10(20-21-11)9-6-17-5-8(18-9)7-1-3-16-4-2-7/h5-7,16H,1-4H2
InChIKeyPUQPSSBPLUHQCR-UHFFFAOYSA-N
XLogP2.01
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 175662065) is 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1nc(-c2cncc(C3CCNCC3)n2)no1.
What is the InChIKey of 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is PUQPSSBPLUHQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c13-12(14,15)11-19-10(20-21-11)9-6-17-5-8(18-9)7-1-3-16-4-2-7/h5-7,16H,1-4H2.
What are the key properties of 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 299.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-4-ylpyrazin-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 175662065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).