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

C9H12N2O3 — CID 106548419

IUPAC4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(CCCC(=O)O)c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-7-5-8(12)11(10-6-7)4-2-3-9(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyUDOMTYQLEVWNNP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds4

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

4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 106548419) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
PubChem CID106548419
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
SMILESCc1cnn(CCCC(=O)O)c(=O)c1
InChIInChI=1S/C9H12N2O3/c1-7-5-8(12)11(10-6-7)4-2-3-9(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyUDOMTYQLEVWNNP-UHFFFAOYSA-N
XLogP0.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
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-(6-oxopyridazin-1(6H)-yl)butanoic acid
CID 62851008
2,2-Dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid
CID 65248080
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
6-Oxo-1-propylpyridazine-4-carboxylic acid
CID 84658338
3-Methyl-4-(4-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 106548376
6-(4-Methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106548378
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548384
3-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548393
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
2,2-Dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoic acid
CID 106548399
3-Hydroxy-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548401

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid (CID 106548419) is 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is Cc1cnn(CCCC(=O)O)c(=O)c1.
What is the InChIKey of 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is UDOMTYQLEVWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-5-8(12)11(10-6-7)4-2-3-9(13)14/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid?
4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 106548419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).