4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine

C11H15N3O — CID 59590612

IUPAC4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2ocnc12
InChIInChI=1S/C11H15N3O/c1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h5-7H,1-4H3
InChIKeyFPAZRLJHYDSJBQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.86
Rot. Bonds2

About 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine

4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine (PubChem CID 59590612) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine
PubChem CID59590612
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine
SMILESCC(C)c1nnc(C(C)C)c2ocnc12
InChIInChI=1S/C11H15N3O/c1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h5-7H,1-4H3
InChIKeyFPAZRLJHYDSJBQ-UHFFFAOYSA-N
XLogP2.86
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine?
The IUPAC name of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine (CID 59590612) is 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine.
What is the SMILES notation for 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine?
The canonical SMILES for 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine is CC(C)c1nnc(C(C)C)c2ocnc12.
What is the InChIKey of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine?
The InChIKey is FPAZRLJHYDSJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)8-10-11(15-5-12-10)9(7(3)4)14-13-8/h5-7H,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine?
4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine has a molecular weight of 205.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine is sourced from PubChem (CID 59590612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).