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

C15H18N6O — CID 86909036

IUPAC2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(c3nnc4ccccn34)CC2)o1
InChIInChI=1S/C15H18N6O/c1-11-16-18-14(22-11)10-20-8-5-12(6-9-20)15-19-17-13-4-2-3-7-21(13)15/h2-4,7,12H,5-6,8-10H2,1H3
InChIKeySQHSWOSCMBSTQF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.80
Rot. Bonds3

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

2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 86909036) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID86909036
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCC(c3nnc4ccccn34)CC2)o1
InChIInChI=1S/C15H18N6O/c1-11-16-18-14(22-11)10-20-8-5-12(6-9-20)15-19-17-13-4-2-3-7-21(13)15/h2-4,7,12H,5-6,8-10H2,1H3
InChIKeySQHSWOSCMBSTQF-UHFFFAOYSA-N
XLogP1.80
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
2-propyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1,3,4-oxadiazole
CID 72932562
2-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47010419
3-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86915583
7-ethyl-4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]chromen-2-one
CID 86908994
(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
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99782748
1-(4-methylphenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 99712325
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 86908992
5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
CID 86911616
3-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 56788570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 86909036) is 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCC(c3nnc4ccccn34)CC2)o1.
What is the InChIKey of 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is SQHSWOSCMBSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11-16-18-14(22-11)10-20-8-5-12(6-9-20)15-19-17-13-4-2-3-7-21(13)15/h2-4,7,12H,5-6,8-10H2,1H3.
What are the key properties of 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86909036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).