4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid

C7H4F3N3O4 — CID 68897306

IUPAC4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1N=NCc2conc21
InChIInChI=1S/C5H3N3O2.C2HF3O2/c9-5-4-3(1-6-7-5)2-10-8-4;3-2(4,5)1(6)7/h2H,1H2;(H,6,7)
InChIKeyBRUJDAHURIPQPQ-UHFFFAOYSA-N
MW251.12 g/mol
LogP1.41
Rot. Bonds

About 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid

4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid (PubChem CID 68897306) has the molecular formula C7H4F3N3O4 and a molecular weight of 251.12 g/mol. Its IUPAC name is 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid
PubChem CID68897306
Molecular FormulaC7H4F3N3O4
Molecular Weight251.12 g/mol
Exact Mass251.02
IUPAC Name4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1N=NCc2conc21
InChIInChI=1S/C5H3N3O2.C2HF3O2/c9-5-4-3(1-6-7-5)2-10-8-4;3-2(4,5)1(6)7/h2H,1H2;(H,6,7)
InChIKeyBRUJDAHURIPQPQ-UHFFFAOYSA-N
XLogP1.41
TPSA105.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid (CID 68897306) is 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1N=NCc2conc21.
What is the InChIKey of 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid?
The InChIKey is BRUJDAHURIPQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2.C2HF3O2/c9-5-4-3(1-6-7-5)2-10-8-4;3-2(4,5)1(6)7/h2H,1H2;(H,6,7).
What are the key properties of 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid?
4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid has a molecular weight of 251.12 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2]oxazolo[3,4-d]pyridazin-7-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68897306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).