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

C104H94F3N29O9S2Se — CID 172980875

About 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;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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 172980875) has the molecular formula C104H94F3N29O9S2Se and a molecular weight of 2094.18 g/mol. Its IUPAC name is 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;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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: 172980875
• Molecular Formula: C104H94F3N29O9S2Se
• Molecular Weight: 2094.18 g/mol
• Exact Mass: 2093.63
• IUPAC Name: 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;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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.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.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)/c(=N\O)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=S)c2ncccc21
• InChI: InChI=1S/C17H13FN6O2.C17H12FN5O2.C17H12FN5OS.C17H17N5O2.C17H16N4OS.C17H16N4OSe.2CH4/c1-24-12-3-2-8-19-14(12)15(23-25)16(22-24)17-21-20-13(26-17)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;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;;/h2-8,25H,9H2,1H3;2*2-8H,9H2,1H3;3-9,24H,10H2,1-2H3,(H,19,23);2*3-9H,10H2,1-2H3,(H,19,22);2*1H4/b23-15-;;;21-15-
• InChIKey: UNBGIWLMYVGVIY-HZWXCHQUSA-N
• XLogP: 15.24
• TPSA: 470.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.18
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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 172980875) is 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;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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.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.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)/c(=N\O)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=S)c2ncccc21.

What is the InChIKey of 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;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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 UNBGIWLMYVGVIY-HZWXCHQUSA-N. The full InChI is InChI=1S/C17H13FN6O2.C17H12FN5O2.C17H12FN5OS.C17H17N5O2.C17H16N4OS.C17H16N4OSe.2CH4/c1-24-12-3-2-8-19-14(12)15(23-25)16(22-24)17-21-20-13(26-17)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;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;;/h2-8,25H,9H2,1H3;2*2-8H,9H2,1H3;3-9,24H,10H2,1-2H3,(H,19,23);2*3-9H,10H2,1-2H3,(H,19,22);2*1H4/b23-15-;;;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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 2094.18 g/mol, XLogP of 15.24, 18 rotatable bonds, 5 hydrogen bond donors, and 37 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-thione;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;(NZ)-N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;(4Z)-4-hydroxyimino-1-methyl-N-[(4-methylphenyl)methyl]pyrido[3,2-c]pyridazine-3-carboxamide;methane;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 172980875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).