5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C82H56Br2Cl3F3N30O5 — CID 161183295

IUPAC5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESBrc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Br.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)cc1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2)cc1.Clc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Cl.Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F
InChIInChI=1S/C17H13ClN6O.C17H13FN6O.C16H10Br2N6O.C16H10Cl2N6O.C16H10F2N6O/c2*1-10-2-6-12(7-3-10)19-14-15(20-13-8-4-11(18)5-9-13)22-17-16(21-14)23-25-24-17;3*17-9-5-1-3-7-11(9)19-13-14(20-12-8-4-2-6-10(12)18)22-16-15(21-13)23-25-24-16/h2*2-9H,1H3,(H,19,21,23)(H,20,22,24);3*1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyUSTIMDBFFSJOBX-UHFFFAOYSA-N
MW1864.72 g/mol
LogP22.02
Rot. Bonds20

About 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 161183295) has the molecular formula C82H56Br2Cl3F3N30O5 and a molecular weight of 1864.72 g/mol. Its IUPAC name is 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID161183295
Molecular FormulaC82H56Br2Cl3F3N30O5
Molecular Weight1864.72 g/mol
Exact Mass1860.24
IUPAC Name5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESBrc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Br.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)cc1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2)cc1.Clc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Cl.Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F
InChIInChI=1S/C17H13ClN6O.C17H13FN6O.C16H10Br2N6O.C16H10Cl2N6O.C16H10F2N6O/c2*1-10-2-6-12(7-3-10)19-14-15(20-13-8-4-11(18)5-9-13)22-17-16(21-14)23-25-24-17;3*17-9-5-1-3-7-11(9)19-13-14(20-12-8-4-2-6-10(12)18)22-16-15(21-13)23-25-24-16/h2*2-9H,1H3,(H,19,21,23)(H,20,22,24);3*1-8H,(H,19,21,23)(H,20,22,24)
InChIKeyUSTIMDBFFSJOBX-UHFFFAOYSA-N
XLogP22.02
TPSA443.80 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001864.72
LogP ≤ 522.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159252808
5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159326924
5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;methane
CID 159407009
5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 159672300
5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;bis(5-N-(4-chloro-2-fluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine);5-N-(2,4-difluorophenyl)-6-N-(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 160576215
5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 161660957
5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 161766934

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 161183295) is 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Brc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Br.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)cc1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2)cc1.Clc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1Cl.Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F.
What is the InChIKey of 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is USTIMDBFFSJOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O.C17H13FN6O.C16H10Br2N6O.C16H10Cl2N6O.C16H10F2N6O/c2*1-10-2-6-12(7-3-10)19-14-15(20-13-8-4-11(18)5-9-13)22-17-16(21-14)23-25-24-17;3*17-9-5-1-3-7-11(9)19-13-14(20-12-8-4-2-6-10(12)18)22-16-15(21-13)23-25-24-16/h2*2-9H,1H3,(H,19,21,23)(H,20,22,24);3*1-8H,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 1864.72 g/mol, XLogP of 22.02, 20 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(2-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-chlorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine;5-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 161183295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).