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

C35H20F10N12O2 — CID 142482711

IUPAC5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1ccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)cc1.Fc1ccccc1Nc1nc2nonc2nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H10F6N6O.C17H10F4N6O/c19-17(20,21)9-4-6-11(7-5-9)25-13-14(28-16-15(27-13)29-31-30-16)26-12-3-1-2-10(8-12)18(22,23)24;18-11-3-1-2-4-12(11)23-14-13(24-15-16(25-14)27-28-26-15)22-10-7-5-9(6-8-10)17(19,20)21/h1-8H,(H,25,27,29)(H,26,28,30);1-8H,(H,22,24,26)(H,23,25,27)
InChIKeyOILCBBFXGFNACK-UHFFFAOYSA-N
MW830.61 g/mol
LogP10.20
Rot. Bonds8

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

5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482711) has the molecular formula C35H20F10N12O2 and a molecular weight of 830.61 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482711
Molecular FormulaC35H20F10N12O2
Molecular Weight830.61 g/mol
Exact Mass830.17
IUPAC Name5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1ccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)cc1.Fc1ccccc1Nc1nc2nonc2nc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H10F6N6O.C17H10F4N6O/c19-17(20,21)9-4-6-11(7-5-9)25-13-14(28-16-15(27-13)29-31-30-16)26-12-3-1-2-10(8-12)18(22,23)24;18-11-3-1-2-4-12(11)23-14-13(24-15-16(25-14)27-28-26-15)22-10-7-5-9(6-8-10)17(19,20)21/h1-8H,(H,25,27,29)(H,26,28,30);1-8H,(H,22,24,26)(H,23,25,27)
InChIKeyOILCBBFXGFNACK-UHFFFAOYSA-N
XLogP10.20
TPSA177.52 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.61
LogP ≤ 510.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4653667
5-N,6-N-bis[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482634
5-N,6-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482640
5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482641
5-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482675
5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482692
6-N-(2-fluorophenyl)-5-N-[2-fluoro-3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482720
5-N,6-N-bis[2-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482729
N5-(4-Fluorophenyl)-N6-[3-(trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4377992
6-N-(2-adamantyl)-5-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 44522387
(3-Methylphenyl){6-[(3-methylphenyl)amino](1,2,5-oxadiazolo[3,4-e]pyrazin-5-yl)}amine
CID 698539
N-(2-fluorophenyl)-N'-(4-methylphenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 702322

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482711) is 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(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-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is FC(F)(F)c1ccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)cc1.Fc1ccccc1Nc1nc2nonc2nc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is OILCBBFXGFNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6O.C17H10F4N6O/c19-17(20,21)9-4-6-11(7-5-9)25-13-14(28-16-15(27-13)29-31-30-16)26-12-3-1-2-10(8-12)18(22,23)24;18-11-3-1-2-4-12(11)23-14-13(24-15-16(25-14)27-28-26-15)22-10-7-5-9(6-8-10)17(19,20)21/h1-8H,(H,25,27,29)(H,26,28,30);1-8H,(H,22,24,26)(H,23,25,27).
What are the key properties of 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 830.61 g/mol, XLogP of 10.20, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-[3-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).