6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one

C17H25N5O2 — CID 126862353

IUPAC6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3ncon3)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-17(2,3)14-4-5-16(23)22(19-14)10-13-6-8-21(9-7-13)11-15-18-12-24-20-15/h4-5,12-13H,6-11H2,1-3H3
InChIKeyJUBXZESWEMFBFS-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.84
Rot. Bonds4

About 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862353) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862353
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3ncon3)CC2)n1
InChIInChI=1S/C17H25N5O2/c1-17(2,3)14-4-5-16(23)22(19-14)10-13-6-8-21(9-7-13)11-15-18-12-24-20-15/h4-5,12-13H,6-11H2,1-3H3
InChIKeyJUBXZESWEMFBFS-UHFFFAOYSA-N
XLogP1.84
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863526
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862498
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862544
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methanamine
CID 63249054
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 171993219
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862353) is 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(Cc3ncon3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is JUBXZESWEMFBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-17(2,3)14-4-5-16(23)22(19-14)10-13-6-8-21(9-7-13)11-15-18-12-24-20-15/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 331.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).