8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane

C12H17N3O — CID 123424095

IUPAC8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnnc(N2CCC3(CCCO3)CC2)c1
InChIInChI=1S/C12H17N3O/c1-3-11(14-13-7-1)15-8-5-12(6-9-15)4-2-10-16-12/h1,3,7H,2,4-6,8-10H2
InChIKeyXMOOTAWHJAHFFX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.63
Rot. Bonds1

About 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane

8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 123424095) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID123424095
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnnc(N2CCC3(CCCO3)CC2)c1
InChIInChI=1S/C12H17N3O/c1-3-11(14-13-7-1)15-8-5-12(6-9-15)4-2-10-16-12/h1,3,7H,2,4-6,8-10H2
InChIKeyXMOOTAWHJAHFFX-UHFFFAOYSA-N
XLogP1.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 123424095) is 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane is c1cnnc(N2CCC3(CCCO3)CC2)c1.
What is the InChIKey of 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XMOOTAWHJAHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-11(14-13-7-1)15-8-5-12(6-9-15)4-2-10-16-12/h1,3,7H,2,4-6,8-10H2.
What are the key properties of 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane?
8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 219.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridazin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 123424095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).