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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide

C121H105F3N34O10S2Se2 — CID 172943275

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide (PubChem CID 172943275) has the molecular formula C121H105F3N34O10S2Se2 and a molecular weight of 2474.45 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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide.

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide
• PubChem CID: 172943275
• Molecular Formula: C121H105F3N34O10S2Se2
• Molecular Weight: 2474.45 g/mol
• Exact Mass: 2474.65
• 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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide
• SMILES: C.Cc1ccc(CNC(=O)c2nn(C)c3cccnc3/c2=N/O)cc1.Cc1ccc(CNC(=O)c2nn(C)c3cccnc3c2=S)cc1.Cc1ccc(CNC(=O)c2nn(C)c3cccnc3c2=[Se])cc1.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
• InChI: InChI=1S/C18H16N6O2.C17H12FN5O2.C17H12FN5OS.C17H12FN5OSe.C17H17N5O2.C17H16N4OS.C17H16N4OSe.CH4/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;1-23-12-3-2-8-19-14(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;1-11-5-7-12(8-6-11)10-19-17(23)16-15(21-24)14-13(22(2)20-16)4-3-9-18-14;2*1-11-5-7-12(8-6-11)10-19-17(22)15-16(23)14-13(21(2)20-15)4-3-9-18-14;/h3-9,25H,10H2,1-2H3;3*2-8H,9H2,1H3;3-9,24H,10H2,1-2H3,(H,19,23);2*3-9H,10H2,1-2H3,(H,19,22);1H4/b23-16-;;;;21-15-
• InChIKey: ZPBRXDIZPCLZCP-RDRMZVTHSA-N
• XLogP: 17.22
• TPSA: 540.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2474.45
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide?

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide (CID 172943275) 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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide.

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide?

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide is C.Cc1ccc(CNC(=O)c2nn(C)c3cccnc3/c2=N/O)cc1.Cc1ccc(CNC(=O)c2nn(C)c3cccnc3c2=S)cc1.Cc1ccc(CNC(=O)c2nn(C)c3cccnc3c2=[Se])cc1.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.

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide?

The InChIKey is ZPBRXDIZPCLZCP-RDRMZVTHSA-N. The full InChI is InChI=1S/C18H16N6O2.C17H12FN5O2.C17H12FN5OS.C17H12FN5OSe.C17H17N5O2.C17H16N4OS.C17H16N4OSe.CH4/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;1-23-12-3-2-8-19-14(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;1-11-5-7-12(8-6-11)10-19-17(23)16-15(21-24)14-13(22(2)20-16)4-3-9-18-14;2*1-11-5-7-12(8-6-11)10-19-17(22)15-16(23)14-13(21(2)20-15)4-3-9-18-14;/h3-9,25H,10H2,1-2H3;3*2-8H,9H2,1H3;3-9,24H,10H2,1-2H3,(H,19,23);2*3-9H,10H2,1-2H3,(H,19,22);1H4/b23-16-;;;;21-15-;;;.

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide?

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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide has a molecular weight of 2474.45 g/mol, XLogP of 17.22, 21 rotatable bonds, 5 hydrogen bond donors, and 43 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-one;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;(NZ)-N-[1-methyl-3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;1-methyl-N-[(4-methylphenyl)methyl]-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide is sourced from PubChem (CID 172943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).