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

C7H10N2O3 — CID 4232775

IUPAC3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid
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)
InChIKeyWEWGVODNYSASSF-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.24
Rot. Bonds3

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

3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid (PubChem CID 4232775) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid
PubChem CID4232775
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid
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)
InChIKeyWEWGVODNYSASSF-UHFFFAOYSA-N
XLogP-0.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid?
The IUPAC name of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid (CID 4232775) is 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid?
The canonical SMILES for 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid is O=C(O)CCC1=CCC(=O)NN1.
What is the InChIKey of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid?
The InChIKey is WEWGVODNYSASSF-UHFFFAOYSA-N. 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).
What are the key properties of 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid?
3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-2,4-dihydro-1H-pyridazin-6-yl)propanoic acid is sourced from PubChem (CID 4232775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).