4-(3,6-dimethylpyridazin-4-yl)butanoic acid

C10H14N2O2 — CID 83878759

IUPAC4-(3,6-dimethylpyridazin-4-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)c(C)nn1
InChIInChI=1S/C10H14N2O2/c1-7-6-9(8(2)12-11-7)4-3-5-10(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyKCGGXSZVZKRLFC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.50
Rot. Bonds4

About 4-(3,6-dimethylpyridazin-4-yl)butanoic acid

4-(3,6-dimethylpyridazin-4-yl)butanoic acid (PubChem CID 83878759) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(3,6-dimethylpyridazin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,6-dimethylpyridazin-4-yl)butanoic acid
PubChem CID83878759
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(3,6-dimethylpyridazin-4-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)c(C)nn1
InChIInChI=1S/C10H14N2O2/c1-7-6-9(8(2)12-11-7)4-3-5-10(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyKCGGXSZVZKRLFC-UHFFFAOYSA-N
XLogP1.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 113439442
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
CID 83892522
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
4-[5-[(2,5-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62539693
4-(2-methyl-4-methylsulfonylphenyl)butanoic acid
CID 117394411
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909
4-(17-carboxyheptadecyl)-3-methylbenzoic acid
CID 54333314
5-(3-carboxypropyl)-2-fluoro-4-methylbenzoic acid
CID 117352745
4-[5-(fluoromethyl)-2-methylphenyl]butanoic acid
CID 117300398
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyridazin-4-yl)butanoic acid?
The IUPAC name of 4-(3,6-dimethylpyridazin-4-yl)butanoic acid (CID 83878759) is 4-(3,6-dimethylpyridazin-4-yl)butanoic acid.
What is the SMILES notation for 4-(3,6-dimethylpyridazin-4-yl)butanoic acid?
The canonical SMILES for 4-(3,6-dimethylpyridazin-4-yl)butanoic acid is Cc1cc(CCCC(=O)O)c(C)nn1.
What is the InChIKey of 4-(3,6-dimethylpyridazin-4-yl)butanoic acid?
The InChIKey is KCGGXSZVZKRLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-9(8(2)12-11-7)4-3-5-10(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(3,6-dimethylpyridazin-4-yl)butanoic acid?
4-(3,6-dimethylpyridazin-4-yl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyridazin-4-yl)butanoic acid is sourced from PubChem (CID 83878759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).