3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine

C86H65F4N27O7SSe — CID 172956353

About 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine

3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine (PubChem CID 172956353) has the molecular formula C86H65F4N27O7SSe and a molecular weight of 1775.67 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine
• PubChem CID: 172956353
• Molecular Formula: C86H65F4N27O7SSe
• Molecular Weight: 1775.67 g/mol
• Exact Mass: 1775.44
• IUPAC Name: 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine
• SMILES: Cc1ccc(Cc2nnc(-c3nn(C)c4cccnc4/c3=N/O)o2)cc1.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=S)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=[Se])c2ncccc21.[H]/N=c1/c(-c2nnc(Cc3ccc(F)cc3)o2)nn(C)c2cccnc12
• InChI: InChI=1S/C18H16N6O2.C17H13FN6O.C17H12FN5O2.C17H12FN5OS.C17H12FN5OSe/c1-11-5-7-12(8-6-11)10-14-20-21-18(26-14)17-16(23-25)15-13(24(2)22-17)4-3-9-19-15;1-24-12-3-2-8-20-15(12)14(19)16(23-24)17-22-21-13(25-17)9-10-4-6-11(18)7-5-10;1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10;2*1-23-12-3-2-8-19-14(12)16(25)15(22-23)17-21-20-13(24-17)9-10-4-6-11(18)7-5-10/h3-9,25H,10H2,1-2H3;2-8,19H,9H2,1H3;3*2-8H,9H2,1H3/b23-16-;19-14+
• InChIKey: FJACDURDLAUQBF-NQRKOEIBSA-N
• XLogP: 12.47
• TPSA: 421.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1775.67
LogP ≤ 5	12.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine?

The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine (CID 172956353) is 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine.

What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine?

The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine is Cc1ccc(Cc2nnc(-c3nn(C)c4cccnc4/c3=N/O)o2)cc1.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=S)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=[Se])c2ncccc21.[H]/N=c1/c(-c2nnc(Cc3ccc(F)cc3)o2)nn(C)c2cccnc12.

What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine?

The InChIKey is FJACDURDLAUQBF-NQRKOEIBSA-N. The full InChI is InChI=1S/C18H16N6O2.C17H13FN6O.C17H12FN5O2.C17H12FN5OS.C17H12FN5OSe/c1-11-5-7-12(8-6-11)10-14-20-21-18(26-14)17-16(23-25)15-13(24(2)22-17)4-3-9-19-15;1-24-12-3-2-8-20-15(12)14(19)16(23-24)17-22-21-13(25-17)9-10-4-6-11(18)7-5-10;1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10;2*1-23-12-3-2-8-19-14(12)16(25)15(22-23)17-21-20-13(24-17)9-10-4-6-11(18)7-5-10/h3-9,25H,10H2,1-2H3;2-8,19H,9H2,1H3;3*2-8H,9H2,1H3/b23-16-;19-14+;;;.

What are the key properties of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine?

3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine has a molecular weight of 1775.67 g/mol, XLogP of 12.47, 15 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-selone;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazine-4-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-imine;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine is sourced from PubChem (CID 172956353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).