6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one

C14H21N3O — CID 167254254

IUPAC6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(N2CCC3(CCC3)CC2)ccc1=O
InChIInChI=1S/C14H21N3O/c1-2-17-13(18)5-4-12(15-17)16-10-8-14(9-11-16)6-3-7-14/h4-5H,2-3,6-11H2,1H3
InChIKeyUMDXLTYOVMMOOV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.03
Rot. Bonds2

About 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one

6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one (PubChem CID 167254254) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one
PubChem CID167254254
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(N2CCC3(CCC3)CC2)ccc1=O
InChIInChI=1S/C14H21N3O/c1-2-17-13(18)5-4-12(15-17)16-10-8-14(9-11-16)6-3-7-14/h4-5H,2-3,6-11H2,1H3
InChIKeyUMDXLTYOVMMOOV-UHFFFAOYSA-N
XLogP2.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one (CID 167254254) is 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one is CCn1nc(N2CCC3(CCC3)CC2)ccc1=O.
What is the InChIKey of 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one?
The InChIKey is UMDXLTYOVMMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17-13(18)5-4-12(15-17)16-10-8-14(9-11-16)6-3-7-14/h4-5H,2-3,6-11H2,1H3.
What are the key properties of 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one?
6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-azaspiro[3.5]nonan-7-yl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 167254254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).