6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid

C8H12N2O3 — CID 50986579

IUPAC6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESCC(C)N1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)10-7(11)4-3-6(9-10)8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyYYZGIEMWPZXCFA-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.46
Rot. Bonds2

About 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 50986579) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID50986579
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESCC(C)N1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C8H12N2O3/c1-5(2)10-7(11)4-3-6(9-10)8(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyYYZGIEMWPZXCFA-UHFFFAOYSA-N
XLogP0.46
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid (CID 50986579) is 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid is CC(C)N1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is YYZGIEMWPZXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)10-7(11)4-3-6(9-10)8(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propan-2-yl-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 50986579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).