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

C68H47Cl2F7I2N24O4 — CID 159326924

About 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

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 (PubChem CID 159326924) has the molecular formula C68H47Cl2F7I2N24O4 and a molecular weight of 1721.99 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159326924
• Molecular Formula: C68H47Cl2F7I2N24O4
• Molecular Weight: 1721.99 g/mol
• Exact Mass: 1720.16
• IUPAC Name: 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
• SMILES: C.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1.Ic1ccccc1Nc1nc2nonc2nc1Nc1ccccc1I
• InChI: InChI=1S/2C17H11ClF2N6O.C17H11F3N6O.C16H10I2N6O.CH4/c3*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20;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;/h3*2-7H,1H3,(H,21,23,25)(H,22,24,26);1-8H,(H,19,21,23)(H,20,22,24);1H4
• InChIKey: LEMCBRCQLIODAW-UHFFFAOYSA-N
• XLogP: 19.05
• TPSA: 355.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1721.99
LogP ≤ 5	19.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2F)c(F)c1.Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(F)cc2F)c(F)c1.Ic1ccccc1Nc1nc2nonc2nc1Nc1ccccc1I.

What is the InChIKey of 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?

The InChIKey is LEMCBRCQLIODAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11ClF2N6O.C17H11F3N6O.C16H10I2N6O.CH4/c3*1-8-2-4-12(10(19)6-8)21-14-15(24-17-16(23-14)25-27-26-17)22-13-5-3-9(18)7-11(13)20;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;/h3*2-7H,1H3,(H,21,23,25)(H,22,24,26);1-8H,(H,19,21,23)(H,20,22,24);1H4.

What are the key properties of 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?

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 has a molecular weight of 1721.99 g/mol, XLogP of 19.05, 16 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159326924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).