methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate

C10H12N2O4 — CID 142690652

IUPACmethyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate
SMILESCOC(=O)Cc1c(C)cnn(CC=O)c1=O
InChIInChI=1S/C10H12N2O4/c1-7-6-11-12(3-4-13)10(15)8(7)5-9(14)16-2/h4,6H,3,5H2,1-2H3
InChIKeyJCXJOIHBBRHEAL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.53
Rot. Bonds4

About methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate

methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate (PubChem CID 142690652) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate
PubChem CID142690652
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate
SMILESCOC(=O)Cc1c(C)cnn(CC=O)c1=O
InChIInChI=1S/C10H12N2O4/c1-7-6-11-12(3-4-13)10(15)8(7)5-9(14)16-2/h4,6H,3,5H2,1-2H3
InChIKeyJCXJOIHBBRHEAL-UHFFFAOYSA-N
XLogP-0.53
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-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-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate (CID 142690652) is methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate is COC(=O)Cc1c(C)cnn(CC=O)c1=O.
What is the InChIKey of methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate?
The InChIKey is JCXJOIHBBRHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7-6-11-12(3-4-13)10(15)8(7)5-9(14)16-2/h4,6H,3,5H2,1-2H3.
What are the key properties of methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate?
methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate has a molecular weight of 224.22 g/mol, XLogP of -0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-3-oxo-2-(2-oxoethyl)pyridazin-4-yl]acetate is sourced from PubChem (CID 142690652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).