N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine

C17H26N6O — CID 131651342

IUPACN-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCC2(CN(c3ccc4nncn4n3)C2)OC1
InChIInChI=1S/C17H26N6O/c1-3-21(4-2)9-14-7-8-17(24-10-14)11-22(12-17)16-6-5-15-19-18-13-23(15)20-16/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyNYJGMEQUVXFXHQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.45
Rot. Bonds5

About N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine

N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine (PubChem CID 131651342) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine
PubChem CID131651342
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCC2(CN(c3ccc4nncn4n3)C2)OC1
InChIInChI=1S/C17H26N6O/c1-3-21(4-2)9-14-7-8-17(24-10-14)11-22(12-17)16-6-5-15-19-18-13-23(15)20-16/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyNYJGMEQUVXFXHQ-UHFFFAOYSA-N
XLogP1.45
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine (CID 131651342) is N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine is CCN(CC)CC1CCC2(CN(c3ccc4nncn4n3)C2)OC1.
What is the InChIKey of N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine?
The InChIKey is NYJGMEQUVXFXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-21(4-2)9-14-7-8-17(24-10-14)11-22(12-17)16-6-5-15-19-18-13-23(15)20-16/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine?
N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine has a molecular weight of 330.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanamine is sourced from PubChem (CID 131651342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).