3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate

C7H9N2O3- — CID 4232774

IUPAC3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate
SMILESO=C([O-])CCC1=CCC(=O)NN1
InChIInChI=1S/C7H10N2O3/c10-6-3-1-5(8-9-6)2-4-7(11)12/h1,8H,2-4H2,(H,9,10)(H,11,12)/p-1
InChIKeyWEWGVODNYSASSF-UHFFFAOYSA-M
MW169.16 g/mol
LogP-1.58
Rot. Bonds3

About 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate

3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate (PubChem CID 4232774) has the molecular formula C7H9N2O3- and a molecular weight of 169.16 g/mol. Its IUPAC name is 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate.

Molecular Properties

Compound Name3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate
PubChem CID4232774
Molecular FormulaC7H9N2O3-
Molecular Weight169.16 g/mol
Exact Mass169.06
IUPAC Name3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate
SMILESO=C([O-])CCC1=CCC(=O)NN1
InChIInChI=1S/C7H10N2O3/c10-6-3-1-5(8-9-6)2-4-7(11)12/h1,8H,2-4H2,(H,9,10)(H,11,12)/p-1
InChIKeyWEWGVODNYSASSF-UHFFFAOYSA-M
XLogP-1.58
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid
CID 4232775
3-(5-Oxo-1,2-dihydropyrazol-3-yl)propanoic acid
CID 82416192

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate?
The IUPAC name of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate (CID 4232774) is 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate.
What is the SMILES notation for 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate?
The canonical SMILES for 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate is O=C([O-])CCC1=CCC(=O)NN1.
What is the InChIKey of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate?
The InChIKey is WEWGVODNYSASSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O3/c10-6-3-1-5(8-9-6)2-4-7(11)12/h1,8H,2-4H2,(H,9,10)(H,11,12)/p-1.
What are the key properties of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate?
3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate has a molecular weight of 169.16 g/mol, XLogP of -1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoate is sourced from PubChem (CID 4232774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).