methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate

C12H17N3O3 — CID 59144352

IUPACmethyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate
SMILESCOC(=O)Cn1nc(N2CCCCC2)ccc1=O
InChIInChI=1S/C12H17N3O3/c1-18-12(17)9-15-11(16)6-5-10(13-15)14-7-3-2-4-8-14/h5-6H,2-4,7-9H2,1H3
InChIKeyBBCJKCHUDQQJDT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.41
Rot. Bonds3

About methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate

methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate (PubChem CID 59144352) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate
PubChem CID59144352
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate
SMILESCOC(=O)Cn1nc(N2CCCCC2)ccc1=O
InChIInChI=1S/C12H17N3O3/c1-18-12(17)9-15-11(16)6-5-10(13-15)14-7-3-2-4-8-14/h5-6H,2-4,7-9H2,1H3
InChIKeyBBCJKCHUDQQJDT-UHFFFAOYSA-N
XLogP0.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate 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 methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate (CID 59144352) is methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate is COC(=O)Cn1nc(N2CCCCC2)ccc1=O.
What is the InChIKey of methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate?
The InChIKey is BBCJKCHUDQQJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)9-15-11(16)6-5-10(13-15)14-7-3-2-4-8-14/h5-6H,2-4,7-9H2,1H3.
What are the key properties of methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate?
methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate has a molecular weight of 251.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)acetate is sourced from PubChem (CID 59144352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).