6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C17H9F5N6O — CID 142482720

IUPAC6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H9F5N6O/c18-9-5-1-2-6-10(9)23-13-14(26-16-15(25-13)27-29-28-16)24-11-7-3-4-8(12(11)19)17(20,21)22/h1-7H,(H,23,25,27)(H,24,26,28)
InChIKeyZXGDJEQNOANLLN-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.80
Rot. Bonds4

About 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482720) has the molecular formula C17H9F5N6O and a molecular weight of 408.29 g/mol. Its IUPAC name is 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482720
Molecular FormulaC17H9F5N6O
Molecular Weight408.29 g/mol
Exact Mass408.08
IUPAC Name6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H9F5N6O/c18-9-5-1-2-6-10(9)23-13-14(26-16-15(25-13)27-29-28-16)24-11-7-3-4-8(12(11)19)17(20,21)22/h1-7H,(H,23,25,27)(H,24,26,28)
InChIKeyZXGDJEQNOANLLN-UHFFFAOYSA-N
XLogP4.80
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482720) is 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Fc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ZXGDJEQNOANLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5N6O/c18-9-5-1-2-6-10(9)23-13-14(26-16-15(25-13)27-29-28-16)24-11-7-3-4-8(12(11)19)17(20,21)22/h1-7H,(H,23,25,27)(H,24,26,28).
What are the key properties of 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 408.29 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).