6-cyclobutylpyridazine-3-carboxylic acid

C9H10N2O2 — CID 171323003

IUPAC6-cyclobutylpyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2CCC2)nn1
InChIInChI=1S/C9H10N2O2/c12-9(13)8-5-4-7(10-11-8)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)
InChIKeyKUVPUIUFXVBQIE-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.44
Rot. Bonds2

About 6-cyclobutylpyridazine-3-carboxylic acid

6-cyclobutylpyridazine-3-carboxylic acid (PubChem CID 171323003) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-cyclobutylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclobutylpyridazine-3-carboxylic acid
PubChem CID171323003
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-cyclobutylpyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2CCC2)nn1
InChIInChI=1S/C9H10N2O2/c12-9(13)8-5-4-7(10-11-8)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)
InChIKeyKUVPUIUFXVBQIE-UHFFFAOYSA-N
XLogP1.44
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylpyridazine-3-carboxylic acid?
The IUPAC name of 6-cyclobutylpyridazine-3-carboxylic acid (CID 171323003) is 6-cyclobutylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-cyclobutylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-cyclobutylpyridazine-3-carboxylic acid is O=C(O)c1ccc(C2CCC2)nn1.
What is the InChIKey of 6-cyclobutylpyridazine-3-carboxylic acid?
The InChIKey is KUVPUIUFXVBQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-9(13)8-5-4-7(10-11-8)6-2-1-3-6/h4-6H,1-3H2,(H,12,13).
What are the key properties of 6-cyclobutylpyridazine-3-carboxylic acid?
6-cyclobutylpyridazine-3-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylpyridazine-3-carboxylic acid is sourced from PubChem (CID 171323003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).