3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid

C10H14N2O3 — CID 106548391

IUPAC3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(C(C(=O)O)C(C)C)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-6(2)9(10(14)15)12-8(13)4-7(3)5-11-12/h4-6,9H,1-3H3,(H,14,15)
InChIKeyPFRKUNXMUZPLAA-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.83
Rot. Bonds3

About 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid

3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 106548391) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID106548391
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(C(C(=O)O)C(C)C)c(=O)c1
InChIInChI=1S/C10H14N2O3/c1-6(2)9(10(14)15)12-8(13)4-7(3)5-11-12/h4-6,9H,1-3H3,(H,14,15)
InChIKeyPFRKUNXMUZPLAA-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 162727474
(2R)-2-(4-fluoro-5-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 175703311
2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid
CID 57919312
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
CID 66939440
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
2-(6-Oxopyridazin-1-yl)butanoic acid
CID 156207441
(2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588058
2-(3-Chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 175588061
4-Methyl-2-(6-oxopyridazin-1-yl)pentanoic acid
CID 175920254
2-Methyl-2-(6-oxopyridazin-1-yl)butanoic acid
CID 82237758

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 106548391) is 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is Cc1cnn(C(C(=O)O)C(C)C)c(=O)c1.
What is the InChIKey of 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is PFRKUNXMUZPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)9(10(14)15)12-8(13)4-7(3)5-11-12/h4-6,9H,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 106548391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).