5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

C5H3N3O2 — CID 91197438

IUPAC5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESO=c1[nH]ncc2oncc12
InChIInChI=1S/C5H3N3O2/c9-5-3-1-7-10-4(3)2-6-8-5/h1-2H,(H,8,9)
InChIKeyCEJOCUARUKYJJZ-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.09
Rot. Bonds

About 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 91197438) has the molecular formula C5H3N3O2 and a molecular weight of 137.10 g/mol. Its IUPAC name is 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID91197438
Molecular FormulaC5H3N3O2
Molecular Weight137.10 g/mol
Exact Mass137.02
IUPAC Name5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESO=c1[nH]ncc2oncc12
InChIInChI=1S/C5H3N3O2/c9-5-3-1-7-10-4(3)2-6-8-5/h1-2H,(H,8,9)
InChIKeyCEJOCUARUKYJJZ-UHFFFAOYSA-N
XLogP-0.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 91197438) is 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is O=c1[nH]ncc2oncc12.
What is the InChIKey of 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is CEJOCUARUKYJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2/c9-5-3-1-7-10-4(3)2-6-8-5/h1-2H,(H,8,9).
What are the key properties of 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
5H-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 137.10 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 91197438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).