8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one

C13H18N4O — CID 97493673

IUPAC8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CCC3(CCC(=O)N3)CC2)nn1
InChIInChI=1S/C13H18N4O/c1-10-2-3-11(16-15-10)17-8-6-13(7-9-17)5-4-12(18)14-13/h2-3H,4-9H2,1H3,(H,14,18)
InChIKeyOXSCVDFTNGXBAV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.03
Rot. Bonds1

About 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one

8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493673) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493673
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(N2CCC3(CCC(=O)N3)CC2)nn1
InChIInChI=1S/C13H18N4O/c1-10-2-3-11(16-15-10)17-8-6-13(7-9-17)5-4-12(18)14-13/h2-3H,4-9H2,1H3,(H,14,18)
InChIKeyOXSCVDFTNGXBAV-UHFFFAOYSA-N
XLogP1.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493673) is 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(N2CCC3(CCC(=O)N3)CC2)nn1.
What is the InChIKey of 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OXSCVDFTNGXBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-2-3-11(16-15-10)17-8-6-13(7-9-17)5-4-12(18)14-13/h2-3H,4-9H2,1H3,(H,14,18).
What are the key properties of 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one?
8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methylpyridazin-3-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).