4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine

C8H9N3O — CID 122697307

IUPAC4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)c1nncc2ocnc12
InChIInChI=1S/C8H9N3O/c1-5(2)7-8-6(3-10-11-7)12-4-9-8/h3-5H,1-2H3
InChIKeyXUDUEYOUZBMFKE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.74
Rot. Bonds1

About 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine

4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine (PubChem CID 122697307) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
PubChem CID122697307
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)c1nncc2ocnc12
InChIInChI=1S/C8H9N3O/c1-5(2)7-8-6(3-10-11-7)12-4-9-8/h3-5H,1-2H3
InChIKeyXUDUEYOUZBMFKE-UHFFFAOYSA-N
XLogP1.74
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
The IUPAC name of 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine (CID 122697307) is 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
The canonical SMILES for 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine is CC(C)c1nncc2ocnc12.
What is the InChIKey of 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
The InChIKey is XUDUEYOUZBMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5(2)7-8-6(3-10-11-7)12-4-9-8/h3-5H,1-2H3.
What are the key properties of 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine?
4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine has a molecular weight of 163.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-[1,3]oxazolo[4,5-d]pyridazine is sourced from PubChem (CID 122697307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).