3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate

C7H7N2O4- — CID 7063753

IUPAC3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
SMILESO=C([O-])CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(8-5)4-3-7(12)13/h1-2H,3-4H2,(H,8,10)(H,12,13)/p-1
InChIKeyPJMGVDKZHXIURV-UHFFFAOYSA-M
MW183.14 g/mol
LogP-2.32
Rot. Bonds3

About 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate

3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate (PubChem CID 7063753) has the molecular formula C7H7N2O4- and a molecular weight of 183.14 g/mol. Its IUPAC name is 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate.

Molecular Properties

Compound Name3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
PubChem CID7063753
Molecular FormulaC7H7N2O4-
Molecular Weight183.14 g/mol
Exact Mass183.04
IUPAC Name3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
SMILESO=C([O-])CCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(8-5)4-3-7(12)13/h1-2H,3-4H2,(H,8,10)(H,12,13)/p-1
InChIKeyPJMGVDKZHXIURV-UHFFFAOYSA-M
XLogP-2.32
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 5-2.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Hydroxy-6-oxo-6H-pyridazin-1-yl)-propionic acid
CID 543990
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 1615790
methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 17607782
ethyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 17607783
3-(3,6-dioxo-1H-pyridazin-2-yl)-2-methylpropanoic acid
CID 60773694
hydrazinyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 66338602
3-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpropanoic acid
CID 79629259
methyl 3-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylpropanoate
CID 79629356
tert-butyl 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 116662612

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The IUPAC name of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate (CID 7063753) is 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate.
What is the SMILES notation for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The canonical SMILES for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate is O=C([O-])CCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
The InChIKey is PJMGVDKZHXIURV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O4/c10-5-1-2-6(11)9(8-5)4-3-7(12)13/h1-2H,3-4H2,(H,8,10)(H,12,13)/p-1.
What are the key properties of 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate?
3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate has a molecular weight of 183.14 g/mol, XLogP of -2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate is sourced from PubChem (CID 7063753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).