methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate

C7H8N2O4 — CID 3375754

IUPACmethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
SMILESCOC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O4/c1-13-7(12)4-9-6(11)3-2-5(10)8-9/h2-3H,4H2,1H3,(H,8,10)
InChIKeyDSZPSPXMCXAVEB-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.29
Rot. Bonds2

About methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate

methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate (PubChem CID 3375754) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
PubChem CID3375754
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
SMILESCOC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O4/c1-13-7(12)4-9-6(11)3-2-5(10)8-9/h2-3H,4H2,1H3,(H,8,10)
InChIKeyDSZPSPXMCXAVEB-UHFFFAOYSA-N
XLogP-1.29
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3,6-dioxo-1H-pyridazin-2-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-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The IUPAC name of methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate (CID 3375754) is methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The canonical SMILES for methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is COC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
The InChIKey is DSZPSPXMCXAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-7(12)4-9-6(11)3-2-5(10)8-9/h2-3H,4H2,1H3,(H,8,10).
What are the key properties of methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate?
methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate has a molecular weight of 184.15 g/mol, XLogP of -1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate is sourced from PubChem (CID 3375754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).