N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

C17H24N6O3 — CID 91766013

IUPACN-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
SMILESO=C(COc1ccc2nncn2n1)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H24N6O3/c24-16(11-26-17-2-1-15-20-18-12-23(15)21-17)19-13-3-7-22(8-4-13)14-5-9-25-10-6-14/h1-2,12-14H,3-11H2,(H,19,24)
InChIKeyLKVKJOUFDVLFBQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.26
Rot. Bonds5

About N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide (PubChem CID 91766013) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
PubChem CID91766013
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
SMILESO=C(COc1ccc2nncn2n1)NC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H24N6O3/c24-16(11-26-17-2-1-15-20-18-12-23(15)21-17)19-13-3-7-22(8-4-13)14-5-9-25-10-6-14/h1-2,12-14H,3-11H2,(H,19,24)
InChIKeyLKVKJOUFDVLFBQ-UHFFFAOYSA-N
XLogP0.26
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenoxy-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 121022857
2-(4-chlorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 126834660
2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide
CID 96542515
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
CID 91839562
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
2-(4-chloro-2-nitrophenoxy)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 38931003
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
2-(4-hydroxyphenoxy)-N-(oxan-4-yl)acetamide
CID 55182267
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
2-(1,3-benzodioxol-5-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 119105659
1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 95136428

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide (CID 91766013) is N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The canonical SMILES for N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide is O=C(COc1ccc2nncn2n1)NC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The InChIKey is LKVKJOUFDVLFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c24-16(11-26-17-2-1-15-20-18-12-23(15)21-17)19-13-3-7-22(8-4-13)14-5-9-25-10-6-14/h1-2,12-14H,3-11H2,(H,19,24).
What are the key properties of N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide has a molecular weight of 360.42 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)piperidin-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide is sourced from PubChem (CID 91766013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).