8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane

C11H15N3O2 — CID 79026595

IUPAC8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cnnc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C11H15N3O2/c1-2-10(13-12-5-1)14-6-3-11(4-7-14)15-8-9-16-11/h1-2,5H,3-4,6-9H2
InChIKeyBCGWHXCVYRLVTK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.82
Rot. Bonds1

About 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane

8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 79026595) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID79026595
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cnnc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C11H15N3O2/c1-2-10(13-12-5-1)14-6-3-11(4-7-14)15-8-9-16-11/h1-2,5H,3-4,6-9H2
InChIKeyBCGWHXCVYRLVTK-UHFFFAOYSA-N
XLogP0.82
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane (CID 79026595) is 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane is c1cnnc(N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is BCGWHXCVYRLVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-10(13-12-5-1)14-6-3-11(4-7-14)15-8-9-16-11/h1-2,5H,3-4,6-9H2.
What are the key properties of 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane?
8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 221.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridazin-3-yl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79026595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).