3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole

C17H23N7O2 — CID 136554767

IUPAC3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CC2CCN(c3ccc4nc(C)nn4n3)CC2)n1
InChIInChI=1S/C17H23N7O2/c1-12-18-15-3-4-16(21-24(15)20-12)23-8-5-13(6-9-23)11-17-19-14(22-26-17)7-10-25-2/h3-4,13H,5-11H2,1-2H3
InChIKeyLWCKBYBGYZADCF-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.46
Rot. Bonds6

About 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 136554767) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID136554767
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CC2CCN(c3ccc4nc(C)nn4n3)CC2)n1
InChIInChI=1S/C17H23N7O2/c1-12-18-15-3-4-16(21-24(15)20-12)23-8-5-13(6-9-23)11-17-19-14(22-26-17)7-10-25-2/h3-4,13H,5-11H2,1-2H3
InChIKeyLWCKBYBGYZADCF-UHFFFAOYSA-N
XLogP1.46
TPSA94.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole (CID 136554767) is 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CC2CCN(c3ccc4nc(C)nn4n3)CC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LWCKBYBGYZADCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-12-18-15-3-4-16(21-24(15)20-12)23-8-5-13(6-9-23)11-17-19-14(22-26-17)7-10-25-2/h3-4,13H,5-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 357.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136554767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).