1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C8H8N4O4 — CID 43563770

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(Cc2ncon2)C(=O)CC1
InChIInChI=1S/C8H8N4O4/c13-7-2-1-5(8(14)15)10-12(7)3-6-9-4-16-11-6/h4H,1-3H2,(H,14,15)
InChIKeySJSHMSPZBQRYKH-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.37
Rot. Bonds3

About 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 43563770) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID43563770
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESO=C(O)C1=NN(Cc2ncon2)C(=O)CC1
InChIInChI=1S/C8H8N4O4/c13-7-2-1-5(8(14)15)10-12(7)3-6-9-4-16-11-6/h4H,1-3H2,(H,14,15)
InChIKeySJSHMSPZBQRYKH-UHFFFAOYSA-N
XLogP-0.37
TPSA108.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 43563770) is 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is O=C(O)C1=NN(Cc2ncon2)C(=O)CC1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is SJSHMSPZBQRYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c13-7-2-1-5(8(14)15)10-12(7)3-6-9-4-16-11-6/h4H,1-3H2,(H,14,15).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 224.18 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 43563770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).