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

C18H10F6N6O — CID 142482729

IUPAC5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1ccccc1Nc1nc2nonc2nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H10F6N6O/c19-17(20,21)9-5-1-3-7-11(9)25-13-14(28-16-15(27-13)29-31-30-16)26-12-8-4-2-6-10(12)18(22,23)24/h1-8H,(H,25,27,29)(H,26,28,30)
InChIKeyZPDDWLIBDGDOOP-UHFFFAOYSA-N
MW440.31 g/mol
LogP5.54
Rot. Bonds4

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

5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482729) has the molecular formula C18H10F6N6O and a molecular weight of 440.31 g/mol. Its IUPAC name is 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482729
Molecular FormulaC18H10F6N6O
Molecular Weight440.31 g/mol
Exact Mass440.08
IUPAC Name5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1ccccc1Nc1nc2nonc2nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H10F6N6O/c19-17(20,21)9-5-1-3-7-11(9)25-13-14(28-16-15(27-13)29-31-30-16)26-12-8-4-2-6-10(12)18(22,23)24/h1-8H,(H,25,27,29)(H,26,28,30)
InChIKeyZPDDWLIBDGDOOP-UHFFFAOYSA-N
XLogP5.54
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.31
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482729) is 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is FC(F)(F)c1ccccc1Nc1nc2nonc2nc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ZPDDWLIBDGDOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6O/c19-17(20,21)9-5-1-3-7-11(9)25-13-14(28-16-15(27-13)29-31-30-16)26-12-8-4-2-6-10(12)18(22,23)24/h1-8H,(H,25,27,29)(H,26,28,30).
What are the key properties of 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 440.31 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).