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

C11H16N2O3 — CID 106548452

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-3-4-5-9(11(15)16)13-10(14)6-8(2)7-12-13/h6-7,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyLLXBGCQLZMXOFB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.37
Rot. Bonds5

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

2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid (PubChem CID 106548452) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
PubChem CID106548452
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ncc(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-3-4-5-9(11(15)16)13-10(14)6-8(2)7-12-13/h6-7,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyLLXBGCQLZMXOFB-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 66939422
4-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 143878452
3-Cyclopentyl-2-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 143878475
6-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548378
Methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
CID 106548388
3-Methyl-2-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548391
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
2-Cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 106548397
Ethyl 2-(4-methyl-6-oxopyridazin-1-yl)pentanoate
CID 106548402
2-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548444
2,2-Dimethyl-6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106714219

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid (CID 106548452) is 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid is CCCCC(C(=O)O)n1ncc(C)cc1=O.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
The InChIKey is LLXBGCQLZMXOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-4-5-9(11(15)16)13-10(14)6-8(2)7-12-13/h6-7,9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
2-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.37, 5 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)hexanoic acid is sourced from PubChem (CID 106548452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).