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

C17H10F4N6O2 — CID 142482669

IUPAC5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H10F4N6O2/c18-11-6-1-2-7-12(11)23-14-13(24-15-16(25-14)27-29-26-15)22-9-4-3-5-10(8-9)28-17(19,20)21/h1-8H,(H,22,24,26)(H,23,25,27)
InChIKeyVSDLNLJBFJSPQI-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.54
Rot. Bonds5

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

5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482669) has the molecular formula C17H10F4N6O2 and a molecular weight of 406.30 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482669
Molecular FormulaC17H10F4N6O2
Molecular Weight406.30 g/mol
Exact Mass406.08
IUPAC Name5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H10F4N6O2/c18-11-6-1-2-7-12(11)23-14-13(24-15-16(25-14)27-29-26-15)22-9-4-3-5-10(8-9)28-17(19,20)21/h1-8H,(H,22,24,26)(H,23,25,27)
InChIKeyVSDLNLJBFJSPQI-UHFFFAOYSA-N
XLogP4.54
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482669) is 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Fc1ccccc1Nc1nc2nonc2nc1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is VSDLNLJBFJSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6O2/c18-11-6-1-2-7-12(11)23-14-13(24-15-16(25-14)27-29-26-15)22-9-4-3-5-10(8-9)28-17(19,20)21/h1-8H,(H,22,24,26)(H,23,25,27).
What are the key properties of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 406.30 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).