5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone

C13H15N5O2 — CID 166252762

IUPAC5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
SMILESO=C(c1cccn2nnnc12)N1CCOC2(CCC2)C1
InChIInChI=1S/C13H15N5O2/c19-12(10-3-1-6-18-11(10)14-15-16-18)17-7-8-20-13(9-17)4-2-5-13/h1,3,6H,2,4-5,7-9H2
InChIKeyYAEPDQZVHRTYRB-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.52
Rot. Bonds1

About 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone

5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone (PubChem CID 166252762) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
PubChem CID166252762
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone
SMILESO=C(c1cccn2nnnc12)N1CCOC2(CCC2)C1
InChIInChI=1S/C13H15N5O2/c19-12(10-3-1-6-18-11(10)14-15-16-18)17-7-8-20-13(9-17)4-2-5-13/h1,3,6H,2,4-5,7-9H2
InChIKeyYAEPDQZVHRTYRB-UHFFFAOYSA-N
XLogP0.52
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The IUPAC name of 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone (CID 166252762) is 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone.
What is the SMILES notation for 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The canonical SMILES for 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone is O=C(c1cccn2nnnc12)N1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The InChIKey is YAEPDQZVHRTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(10-3-1-6-18-11(10)14-15-16-18)17-7-8-20-13(9-17)4-2-5-13/h1,3,6H,2,4-5,7-9H2.
What are the key properties of 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone?
5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-8-azaspiro[3.5]nonan-8-yl(tetrazolo[1,5-a]pyridin-8-yl)methanone is sourced from PubChem (CID 166252762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).