4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one

C18H27N7O2 — CID 126912161

IUPAC4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one
SMILESCN(C)c1ccc2nnc(C3CCN(CCN4CCOCC4=O)CC3)n2n1
InChIInChI=1S/C18H27N7O2/c1-22(2)16-4-3-15-19-20-18(25(15)21-16)14-5-7-23(8-6-14)9-10-24-11-12-27-13-17(24)26/h3-4,14H,5-13H2,1-2H3
InChIKeyVDLITRUMEXHASX-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.23
Rot. Bonds5

About 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one

4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one (PubChem CID 126912161) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one
PubChem CID126912161
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one
SMILESCN(C)c1ccc2nnc(C3CCN(CCN4CCOCC4=O)CC3)n2n1
InChIInChI=1S/C18H27N7O2/c1-22(2)16-4-3-15-19-20-18(25(15)21-16)14-5-7-23(8-6-14)9-10-24-11-12-27-13-17(24)26/h3-4,14H,5-13H2,1-2H3
InChIKeyVDLITRUMEXHASX-UHFFFAOYSA-N
XLogP0.23
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one with MolForge

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Related Compounds

3-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912029
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126912061
3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912151
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one
CID 126912047
N,N-dimethyl-3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912084
N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
N,N-dimethyl-3-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912116
N,N-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911947
1-[2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]azepan-2-one
CID 126910752
N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912114
6-methyl-3-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-4-one
CID 126910207
N,N-dimethyl-3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912206

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one?
The IUPAC name of 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one (CID 126912161) is 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one is CN(C)c1ccc2nnc(C3CCN(CCN4CCOCC4=O)CC3)n2n1.
What is the InChIKey of 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one?
The InChIKey is VDLITRUMEXHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-22(2)16-4-3-15-19-20-18(25(15)21-16)14-5-7-23(8-6-14)9-10-24-11-12-27-13-17(24)26/h3-4,14H,5-13H2,1-2H3.
What are the key properties of 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one?
4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one has a molecular weight of 373.46 g/mol, XLogP of 0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one is sourced from PubChem (CID 126912161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).