2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

C8H10N2O3 — CID 69081059

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(C(C)C(=O)O)c(=O)c1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(11)10(9-4-5)6(2)8(12)13/h3-4,6H,1-2H3,(H,12,13)
InChIKeyHKAITALYOADHAZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.20
Rot. Bonds2

About 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid

2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (PubChem CID 69081059) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
PubChem CID69081059
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
SMILESCc1cnn(C(C)C(=O)O)c(=O)c1
InChIInChI=1S/C8H10N2O3/c1-5-3-7(11)10(9-4-5)6(2)8(12)13/h3-4,6H,1-2H3,(H,12,13)
InChIKeyHKAITALYOADHAZ-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid 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 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid (CID 69081059) is 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is Cc1cnn(C(C)C(=O)O)c(=O)c1.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
The InChIKey is HKAITALYOADHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-7(11)10(9-4-5)6(2)8(12)13/h3-4,6H,1-2H3,(H,12,13).
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid?
2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid is sourced from PubChem (CID 69081059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).