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

C7H8N2O3 — CID 2084045

IUPAC1-ethyl-6-oxopyridazine-3-carboxylic acid
SMILESCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C7H8N2O3/c1-2-9-6(10)4-3-5(8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyYPGQZFBTZKRELK-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.04
Rot. Bonds2

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

1-ethyl-6-oxopyridazine-3-carboxylic acid (PubChem CID 2084045) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-ethyl-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-oxopyridazine-3-carboxylic acid
PubChem CID2084045
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1-ethyl-6-oxopyridazine-3-carboxylic acid
SMILESCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C7H8N2O3/c1-2-9-6(10)4-3-5(8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12)
InChIKeyYPGQZFBTZKRELK-UHFFFAOYSA-N
XLogP-0.04
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-oxopyridazine-3-carboxylic acid (CID 2084045) is 1-ethyl-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-oxopyridazine-3-carboxylic acid is CCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxopyridazine-3-carboxylic acid?
The InChIKey is YPGQZFBTZKRELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-9-6(10)4-3-5(8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-6-oxopyridazine-3-carboxylic acid?
1-ethyl-6-oxopyridazine-3-carboxylic acid has a molecular weight of 168.15 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 1-ethyl-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 2084045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).