8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C11H14N6O2 — CID 35416851

IUPAC8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cc2nnnn2nc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H14N6O2/c1-2-10(13-17-9(1)12-14-15-17)16-5-3-11(4-6-16)18-7-8-19-11/h1-2H,3-8H2
InChIKeyDFWMPHDUQLHDGS-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.14
Rot. Bonds1

About 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 35416851) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID35416851
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1cc2nnnn2nc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C11H14N6O2/c1-2-10(13-17-9(1)12-14-15-17)16-5-3-11(4-6-16)18-7-8-19-11/h1-2H,3-8H2
InChIKeyDFWMPHDUQLHDGS-UHFFFAOYSA-N
XLogP-0.14
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 35416851) is 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane is c1cc2nnnn2nc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is DFWMPHDUQLHDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-2-10(13-17-9(1)12-14-15-17)16-5-3-11(4-6-16)18-7-8-19-11/h1-2H,3-8H2.
What are the key properties of 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 262.27 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(tetrazolo[1,5-b]pyridazin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 35416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).