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

C11H16N2O3 — CID 143878452

IUPAC4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCc1cnn(C(CC(C)C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(2)4-9(11(15)16)13-10(14)5-8(3)6-12-13/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyIUVAUWPEPXDWLE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.22
Rot. Bonds4

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

4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 143878452) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
PubChem CID143878452
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
SMILESCc1cnn(C(CC(C)C)C(=O)O)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-7(2)4-9(11(15)16)13-10(14)5-8(3)6-12-13/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyIUVAUWPEPXDWLE-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-chloro-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-methylpentanoic acid
CID 175588045
2-[3-Chloro-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-methylpentanoic acid
CID 175588046
2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid
CID 57919312
2-(4-iodo-6-oxo-6H-pyridazin-1-yl)-4-methyl-pentanoic acid methyl ester
CID 66875251
2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
2-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 69081059
3-Cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 143878475
methyl (2S)-2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoate
CID 168984542
(2S)-2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984548
(2S)-2-[3-[2-(dimethylamino)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984554
Methyl 2-(3-chloro-4-methyl-6-oxopyridazin-1-yl)-4-methylpentanoate
CID 169744701
2-[3-[2-(Dimethylamino)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588052

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid (CID 143878452) is 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid is Cc1cnn(C(CC(C)C)C(=O)O)c(=O)c1.
What is the InChIKey of 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is IUVAUWPEPXDWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)4-9(11(15)16)13-10(14)5-8(3)6-12-13/h5-7,9H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid?
4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 143878452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).