5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

C17H21N7O — CID 75442478

IUPAC5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1cnnc1C1CCCN(c2ncccc2-c2nc(C)no2)C1
InChIInChI=1S/C17H21N7O/c1-3-23-11-19-21-15(23)13-6-5-9-24(10-13)16-14(7-4-8-18-16)17-20-12(2)22-25-17/h4,7-8,11,13H,3,5-6,9-10H2,1-2H3
InChIKeyUYPHWJHHRVEXRS-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.44
Rot. Bonds4

About 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 75442478) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID75442478
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1cnnc1C1CCCN(c2ncccc2-c2nc(C)no2)C1
InChIInChI=1S/C17H21N7O/c1-3-23-11-19-21-15(23)13-6-5-9-24(10-13)16-14(7-4-8-18-16)17-20-12(2)22-25-17/h4,7-8,11,13H,3,5-6,9-10H2,1-2H3
InChIKeyUYPHWJHHRVEXRS-UHFFFAOYSA-N
XLogP2.44
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 75442478) is 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is CCn1cnnc1C1CCCN(c2ncccc2-c2nc(C)no2)C1.
What is the InChIKey of 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is UYPHWJHHRVEXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-3-23-11-19-21-15(23)13-6-5-9-24(10-13)16-14(7-4-8-18-16)17-20-12(2)22-25-17/h4,7-8,11,13H,3,5-6,9-10H2,1-2H3.
What are the key properties of 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 75442478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).