2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid

C10H12N2O3 — CID 106548386

IUPAC2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid
SMILESCc1cnn(C2CCC2C(=O)O)c(=O)c1
InChIInChI=1S/C10H12N2O3/c1-6-4-9(13)12(11-5-6)8-3-2-7(8)10(14)15/h4-5,7-8H,2-3H2,1H3,(H,14,15)
InChIKeyLBFIYPCNXHFSHF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.59
Rot. Bonds2

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

2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 106548386) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID106548386
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid
SMILESCc1cnn(C2CCC2C(=O)O)c(=O)c1
InChIInChI=1S/C10H12N2O3/c1-6-4-9(13)12(11-5-6)8-3-2-7(8)10(14)15/h4-5,7-8H,2-3H2,1H3,(H,14,15)
InChIKeyLBFIYPCNXHFSHF-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Iodo-6-oxopyridazin-1-yl)-4-methylpentanoic acid
CID 66875346
2-Methyl-3-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548384
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid (CID 106548386) is 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid is Cc1cnn(C2CCC2C(=O)O)c(=O)c1.
What is the InChIKey of 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is LBFIYPCNXHFSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-4-9(13)12(11-5-6)8-3-2-7(8)10(14)15/h4-5,7-8H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid?
2-(4-methyl-6-oxopyridazin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.59, 2 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)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106548386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).