1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid

C10H10N2O3 — CID 172536115

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C23CC(C2)C3)n1
InChIInChI=1S/C10H10N2O3/c13-8-2-1-7(9(14)15)11-12(8)10-3-6(4-10)5-10/h1-2,6H,3-5H2,(H,14,15)
InChIKeyYQJPIVOTNBZMLL-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.45
Rot. Bonds2

About 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid

1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 172536115) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID172536115
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C23CC(C2)C3)n1
InChIInChI=1S/C10H10N2O3/c13-8-2-1-7(9(14)15)11-12(8)10-3-6(4-10)5-10/h1-2,6H,3-5H2,(H,14,15)
InChIKeyYQJPIVOTNBZMLL-UHFFFAOYSA-N
XLogP0.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-6-oxopyridazine-3-carboxylic acid
CID 150434130
1-(oxan-4-yl)-6-oxopyridazine-3-carboxylic acid
CID 114695894
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114695976
1-(3-methylbutan-2-yl)-6-oxopyridazine-3-carboxylic acid
CID 127019977
6-oxo-1-prop-2-enylpyridazine-3-carboxylic acid
CID 130170703
1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 28603373
1-but-3-en-2-yl-6-oxopyridazine-3-carboxylic acid
CID 114695954
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-3-carboxylic acid
CID 114621655
6-oxo-1-(3,3,3-trifluoropropyl)pyridazine-3-carboxylic acid
CID 114695937
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid (CID 172536115) is 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C23CC(C2)C3)n1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is YQJPIVOTNBZMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-8-2-1-7(9(14)15)11-12(8)10-3-6(4-10)5-10/h1-2,6H,3-5H2,(H,14,15).
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid?
1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 172536115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).