sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate

C7H9N2NaO3 — CID 23675620

IUPACsodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate
SMILESCCOc1cnn(C)c(=O)c1[O-].[Na+]
InChIInChI=1S/C7H10N2O3.Na/c1-3-12-5-4-8-9(2)7(11)6(5)10;/h4,10H,3H2,1-2H3;/q;+1/p-1
InChIKeyGFXQFXINBCPLLB-UHFFFAOYSA-M
MW192.15 g/mol
LogP-3.74
Rot. Bonds2

About sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate

sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate (PubChem CID 23675620) has the molecular formula C7H9N2NaO3 and a molecular weight of 192.15 g/mol. Its IUPAC name is sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate.

Molecular Properties

Compound Namesodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate
PubChem CID23675620
Molecular FormulaC7H9N2NaO3
Molecular Weight192.15 g/mol
Exact Mass192.05
IUPAC Namesodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate
SMILESCCOc1cnn(C)c(=O)c1[O-].[Na+]
InChIInChI=1S/C7H10N2O3.Na/c1-3-12-5-4-8-9(2)7(11)6(5)10;/h4,10H,3H2,1-2H3;/q;+1/p-1
InChIKeyGFXQFXINBCPLLB-UHFFFAOYSA-M
XLogP-3.74
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 5-3.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate 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 sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate?
The IUPAC name of sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate (CID 23675620) is sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate.
What is the SMILES notation for sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate?
The canonical SMILES for sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate is CCOc1cnn(C)c(=O)c1[O-].[Na+].
What is the InChIKey of sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate?
The InChIKey is GFXQFXINBCPLLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O3.Na/c1-3-12-5-4-8-9(2)7(11)6(5)10;/h4,10H,3H2,1-2H3;/q;+1/p-1.
What are the key properties of sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate?
sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate has a molecular weight of 192.15 g/mol, XLogP of -3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-ethoxy-2-methyl-3-oxopyridazin-4-olate is sourced from PubChem (CID 23675620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).