2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole

C16H20N6O — CID 72932562

IUPAC2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCC(c3nnc4ccccn34)CC2)o1
InChIInChI=1S/C16H20N6O/c1-2-5-14-18-20-16(23-14)21-10-7-12(8-11-21)15-19-17-13-6-3-4-9-22(13)15/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3
InChIKeyVNNZHTWIOOEELX-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.45
Rot. Bonds4

About 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole

2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 72932562) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
PubChem CID72932562
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc(N2CCC(c3nnc4ccccn34)CC2)o1
InChIInChI=1S/C16H20N6O/c1-2-5-14-18-20-16(23-14)21-10-7-12(8-11-21)15-19-17-13-6-3-4-9-22(13)15/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3
InChIKeyVNNZHTWIOOEELX-UHFFFAOYSA-N
XLogP2.45
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99782748
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 31742818
(4S)-N,N-dimethyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-amine
CID 97205446
3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 118790726
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 129397169
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 34042724
2-[4-[(2R)-1-methoxypropan-2-yl]piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 97209007
7-ethyl-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 86908994

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole (CID 72932562) is 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole is CCCc1nnc(N2CCC(c3nnc4ccccn34)CC2)o1.
What is the InChIKey of 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is VNNZHTWIOOEELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-2-5-14-18-20-16(23-14)21-10-7-12(8-11-21)15-19-17-13-6-3-4-9-22(13)15/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3.
What are the key properties of 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole?
2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 312.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 72932562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).