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

C11H16N2O3 — CID 106548378

IUPAC6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
SMILESCc1cnn(CCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVTHRPHBVMDLLIP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds6

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

6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid (PubChem CID 106548378) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
PubChem CID106548378
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
SMILESCc1cnn(CCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C11H16N2O3/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11(15)16/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyVTHRPHBVMDLLIP-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(6-Oxopyridazin-1-yl)hexanoic acid
CID 64297753
Methyl 2-(4-methyl-6-oxopyridazin-1-yl)hexanoate
CID 106548388
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
4-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548419
2-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548444
2-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548452
5-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548456
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106549139
2,2-Dimethyl-6-(6-oxopyridazin-1-yl)hexanoic acid
CID 106714170
6-[4-(Dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylhexanoic acid
CID 106714216
6-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylhexanoic acid
CID 106714217
2,2-Dimethyl-6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106714219

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
The IUPAC name of 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid (CID 106548378) is 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
The canonical SMILES for 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid is Cc1cnn(CCCCCC(=O)O)c(=O)c1.
What is the InChIKey of 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
The InChIKey is VTHRPHBVMDLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9-7-10(14)13(12-8-9)6-4-2-3-5-11(15)16/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid?
6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid is sourced from PubChem (CID 106548378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).