5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

C11H5F4N5O2 — CID 146200483

IUPAC5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H5F4N5O2/c12-6-4(11(13,14)15)2-1-3-5(6)16-9-10(21)18-8-7(17-9)19-22-20-8/h1-3H,(H,16,17,19)(H,18,20,21)
InChIKeyUZNUVEUYSVZTKR-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.21
Rot. Bonds2

About 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one

5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (PubChem CID 146200483) has the molecular formula C11H5F4N5O2 and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
PubChem CID146200483
Molecular FormulaC11H5F4N5O2
Molecular Weight315.19 g/mol
Exact Mass315.04
IUPAC Name5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one
SMILESO=c1[nH]c2nonc2nc1Nc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H5F4N5O2/c12-6-4(11(13,14)15)2-1-3-5(6)16-9-10(21)18-8-7(17-9)19-22-20-8/h1-3H,(H,16,17,19)(H,18,20,21)
InChIKeyUZNUVEUYSVZTKR-UHFFFAOYSA-N
XLogP2.21
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The IUPAC name of 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one (CID 146200483) is 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one.
What is the SMILES notation for 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The canonical SMILES for 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is O=c1[nH]c2nonc2nc1Nc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
The InChIKey is UZNUVEUYSVZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4N5O2/c12-6-4(11(13,14)15)2-1-3-5(6)16-9-10(21)18-8-7(17-9)19-22-20-8/h1-3H,(H,16,17,19)(H,18,20,21).
What are the key properties of 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one?
5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one has a molecular weight of 315.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-3-(trifluoromethyl)anilino]-7H-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-one is sourced from PubChem (CID 146200483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).