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

C17H10F4N6O — CID 142482641

IUPAC5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F4N6O/c18-11-6-1-2-7-12(11)23-14-13(24-15-16(25-14)27-28-26-15)22-10-5-3-4-9(8-10)17(19,20)21/h1-8H,(H,22,24,26)(H,23,25,27)
InChIKeyOIKGQWBPDMKSST-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.66
Rot. Bonds4

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

5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482641) has the molecular formula C17H10F4N6O and a molecular weight of 390.30 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482641
Molecular FormulaC17H10F4N6O
Molecular Weight390.30 g/mol
Exact Mass390.09
IUPAC Name5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F4N6O/c18-11-6-1-2-7-12(11)23-14-13(24-15-16(25-14)27-28-26-15)22-10-5-3-4-9(8-10)17(19,20)21/h1-8H,(H,22,24,26)(H,23,25,27)
InChIKeyOIKGQWBPDMKSST-UHFFFAOYSA-N
XLogP4.66
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482641) is 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Fc1ccccc1Nc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is OIKGQWBPDMKSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N6O/c18-11-6-1-2-7-12(11)23-14-13(24-15-16(25-14)27-28-26-15)22-10-5-3-4-9(8-10)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-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 390.30 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).