2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

C17H22N8O2 — CID 72855156

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1nonc1CC(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1
InChIInChI=1S/C17H22N8O2/c1-12-14(22-27-21-12)10-16(26)24-8-4-13(5-9-24)17-20-19-15(23(17)2)11-25-7-3-6-18-25/h3,6-7,13H,4-5,8-11H2,1-2H3
InChIKeyFJKYWROQNNGPQZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.70
Rot. Bonds5

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 72855156) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID72855156
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1nonc1CC(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1
InChIInChI=1S/C17H22N8O2/c1-12-14(22-27-21-12)10-16(26)24-8-4-13(5-9-24)17-20-19-15(23(17)2)11-25-7-3-6-18-25/h3,6-7,13H,4-5,8-11H2,1-2H3
InChIKeyFJKYWROQNNGPQZ-UHFFFAOYSA-N
XLogP0.70
TPSA107.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4,4,4-trifluoro-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one
CID 72839333
[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 72938936
5-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72904793
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662
(2,5-dimethylfuran-3-yl)-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72927455
2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
CID 91782556
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 97211159
6-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72863419
[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 72883657
(2-hydroxyphenyl)-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97208763
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 97154995
1-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72851332

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 72855156) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is Cc1nonc1CC(=O)N1CCC(c2nnc(Cn3cccn3)n2C)CC1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is FJKYWROQNNGPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-12-14(22-27-21-12)10-16(26)24-8-4-13(5-9-24)17-20-19-15(23(17)2)11-25-7-3-6-18-25/h3,6-7,13H,4-5,8-11H2,1-2H3.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 370.42 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72855156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).