1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one

C18H24N6O2 — CID 124806557

IUPAC1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1C[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1
InChIInChI=1S/C18H24N6O2/c25-17-3-1-2-8-22(17)9-14-6-7-18(26-10-14)11-23(12-18)16-5-4-15-20-19-13-24(15)21-16/h4-5,13-14H,1-3,6-12H2/t14-/m1/s1
InChIKeyRJIAVOAYPGGMIF-CQSZACIVSA-N
MW356.43 g/mol
LogP1.12
Rot. Bonds3

About 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one

1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one (PubChem CID 124806557) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
PubChem CID124806557
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
SMILESO=C1CCCCN1C[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1
InChIInChI=1S/C18H24N6O2/c25-17-3-1-2-8-22(17)9-14-6-7-18(26-10-14)11-23(12-18)16-5-4-15-20-19-13-24(15)21-16/h4-5,13-14H,1-3,6-12H2/t14-/m1/s1
InChIKeyRJIAVOAYPGGMIF-CQSZACIVSA-N
XLogP1.12
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one (CID 124806557) is 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one is O=C1CCCCN1C[C@H]1CCC2(CN(c3ccc4nncn4n3)C2)OC1.
What is the InChIKey of 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
The InChIKey is RJIAVOAYPGGMIF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-17-3-1-2-8-22(17)9-14-6-7-18(26-10-14)11-23(12-18)16-5-4-15-20-19-13-24(15)21-16/h4-5,13-14H,1-3,6-12H2/t14-/m1/s1.
What are the key properties of 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one?
1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(7R)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one is sourced from PubChem (CID 124806557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).