methyl 2-(6-oxopyridazin-1-yl)acetate

C7H8N2O3 — CID 46786410

IUPACmethyl 2-(6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncccc1=O
InChIInChI=1S/C7H8N2O3/c1-12-7(11)5-9-6(10)3-2-4-8-9/h2-4H,5H2,1H3
InChIKeyFPTIMYCGSXSUQO-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.58
Rot. Bonds2

About methyl 2-(6-oxopyridazin-1-yl)acetate

methyl 2-(6-oxopyridazin-1-yl)acetate (PubChem CID 46786410) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 2-(6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-oxopyridazin-1-yl)acetate
PubChem CID46786410
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 2-(6-oxopyridazin-1-yl)acetate
SMILESCOC(=O)Cn1ncccc1=O
InChIInChI=1S/C7H8N2O3/c1-12-7(11)5-9-6(10)3-2-4-8-9/h2-4H,5H2,1H3
InChIKeyFPTIMYCGSXSUQO-UHFFFAOYSA-N
XLogP-0.58
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(6-oxopyridazin-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-oxopyridazin-1-yl)acetate?
The IUPAC name of methyl 2-(6-oxopyridazin-1-yl)acetate (CID 46786410) is methyl 2-(6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6-oxopyridazin-1-yl)acetate?
The canonical SMILES for methyl 2-(6-oxopyridazin-1-yl)acetate is COC(=O)Cn1ncccc1=O.
What is the InChIKey of methyl 2-(6-oxopyridazin-1-yl)acetate?
The InChIKey is FPTIMYCGSXSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7(11)5-9-6(10)3-2-4-8-9/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(6-oxopyridazin-1-yl)acetate?
methyl 2-(6-oxopyridazin-1-yl)acetate has a molecular weight of 168.15 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 46786410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).