6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid

C9H9N3O4 — CID 45095497

IUPAC6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c(C)onc2c1=O
InChIInChI=1S/C9H9N3O4/c1-3-12-8(13)6-5(4(2)16-11-6)7(10-12)9(14)15/h3H2,1-2H3,(H,14,15)
InChIKeyJTYIIOWIXFYNCZ-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.41
Rot. Bonds2

About 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid

6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid (PubChem CID 45095497) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid
PubChem CID45095497
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid
SMILESCCn1nc(C(=O)O)c2c(C)onc2c1=O
InChIInChI=1S/C9H9N3O4/c1-3-12-8(13)6-5(4(2)16-11-6)7(10-12)9(14)15/h3H2,1-2H3,(H,14,15)
InChIKeyJTYIIOWIXFYNCZ-UHFFFAOYSA-N
XLogP0.41
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid?
The IUPAC name of 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid (CID 45095497) is 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid is CCn1nc(C(=O)O)c2c(C)onc2c1=O.
What is the InChIKey of 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid?
The InChIKey is JTYIIOWIXFYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-3-12-8(13)6-5(4(2)16-11-6)7(10-12)9(14)15/h3H2,1-2H3,(H,14,15).
What are the key properties of 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid?
6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid has a molecular weight of 223.19 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazine-4-carboxylic acid is sourced from PubChem (CID 45095497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).