5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid

C8H10N2O3 — CID 83636284

IUPAC5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)nn(C)c1=O
InChIInChI=1S/C8H10N2O3/c1-3-5-4-6(8(12)13)9-10(2)7(5)11/h4H,3H2,1-2H3,(H,12,13)
InChIKeyCWKAGVZFCMCWPW-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.04
Rot. Bonds2

About 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid

5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid (PubChem CID 83636284) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid
PubChem CID83636284
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)nn(C)c1=O
InChIInChI=1S/C8H10N2O3/c1-3-5-4-6(8(12)13)9-10(2)7(5)11/h4H,3H2,1-2H3,(H,12,13)
InChIKeyCWKAGVZFCMCWPW-UHFFFAOYSA-N
XLogP0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid (CID 83636284) is 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid is CCc1cc(C(=O)O)nn(C)c1=O.
What is the InChIKey of 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid?
The InChIKey is CWKAGVZFCMCWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-5-4-6(8(12)13)9-10(2)7(5)11/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid?
5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 83636284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).