6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid

C12H13N3O3 — CID 63262742

IUPAC6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCc2cccnc2)C(=O)CC1
InChIInChI=1S/C12H13N3O3/c16-11-4-3-10(12(17)18)14-15(11)7-5-9-2-1-6-13-8-9/h1-2,6,8H,3-5,7H2,(H,17,18)
InChIKeyJLOPHDJPCPMENZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.69
Rot. Bonds4

About 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 63262742) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID63262742
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(CCc2cccnc2)C(=O)CC1
InChIInChI=1S/C12H13N3O3/c16-11-4-3-10(12(17)18)14-15(11)7-5-9-2-1-6-13-8-9/h1-2,6,8H,3-5,7H2,(H,17,18)
InChIKeyJLOPHDJPCPMENZ-UHFFFAOYSA-N
XLogP0.69
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid (CID 63262742) is 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(CCc2cccnc2)C(=O)CC1.
What is the InChIKey of 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is JLOPHDJPCPMENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-11-4-3-10(12(17)18)14-15(11)7-5-9-2-1-6-13-8-9/h1-2,6,8H,3-5,7H2,(H,17,18).
What are the key properties of 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 63262742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).