3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one

C17H24N6O2 — CID 126911720

IUPAC3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one
SMILESCOc1ccc2nnc(C3CCN(C4CCCN(C)C4=O)CC3)n2n1
InChIInChI=1S/C17H24N6O2/c1-21-9-3-4-13(17(21)24)22-10-7-12(8-11-22)16-19-18-14-5-6-15(25-2)20-23(14)16/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyLVZANLCRSXZNNZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.93
Rot. Bonds3

About 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one

3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one (PubChem CID 126911720) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one
PubChem CID126911720
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one
SMILESCOc1ccc2nnc(C3CCN(C4CCCN(C)C4=O)CC3)n2n1
InChIInChI=1S/C17H24N6O2/c1-21-9-3-4-13(17(21)24)22-10-7-12(8-11-22)16-19-18-14-5-6-15(25-2)20-23(14)16/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyLVZANLCRSXZNNZ-UHFFFAOYSA-N
XLogP0.93
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911606
6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126911586
6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126911479
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749
6-methoxy-3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911730
6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911815
3-[1-(2-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911766

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one?
The IUPAC name of 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one (CID 126911720) is 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one.
What is the SMILES notation for 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one?
The canonical SMILES for 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one is COc1ccc2nnc(C3CCN(C4CCCN(C)C4=O)CC3)n2n1.
What is the InChIKey of 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one?
The InChIKey is LVZANLCRSXZNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21-9-3-4-13(17(21)24)22-10-7-12(8-11-22)16-19-18-14-5-6-15(25-2)20-23(14)16/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one?
3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one is sourced from PubChem (CID 126911720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).