2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one

C9H6F3N3O2 — CID 167816920

IUPAC2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1Cc1ccno1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)7-1-2-8(16)15(14-7)5-6-3-4-13-17-6/h1-4H,5H2
InChIKeyRBXFOLFXQYDQMV-UHFFFAOYSA-N
MW245.16 g/mol
LogP1.30
Rot. Bonds2

About 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one

2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 167816920) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID167816920
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1Cc1ccno1
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)7-1-2-8(16)15(14-7)5-6-3-4-13-17-6/h1-4H,5H2
InChIKeyRBXFOLFXQYDQMV-UHFFFAOYSA-N
XLogP1.30
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one (CID 167816920) is 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1Cc1ccno1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is RBXFOLFXQYDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)7-1-2-8(16)15(14-7)5-6-3-4-13-17-6/h1-4H,5H2.
What are the key properties of 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 245.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 167816920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).