1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid

C8H10N2O4 — CID 8899701

IUPAC1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid
SMILESCOCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyRSOSHWXWMIHOSG-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.41
Rot. Bonds4

About 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid

1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 8899701) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID8899701
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid
SMILESCOCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyRSOSHWXWMIHOSG-UHFFFAOYSA-N
XLogP-0.41
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid (CID 8899701) is 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid is COCCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is RSOSHWXWMIHOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-5-4-10-7(11)3-2-6(9-10)8(12)13/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid?
1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 8899701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).