6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine

C73H68F8N30O — CID 161382987

About 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine

6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine (PubChem CID 161382987) has the molecular formula C73H68F8N30O and a molecular weight of 1533.54 g/mol. Its IUPAC name is 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine.

Molecular Properties

• Compound Name: 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine
• PubChem CID: 161382987
• Molecular Formula: C73H68F8N30O
• Molecular Weight: 1533.54 g/mol
• Exact Mass: 1532.61
• IUPAC Name: 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine
• SMILES: COc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.FC(F)(F)c1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.FC(F)(F)c1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.Fc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.Fc1ccccc1Nc1nnc2ccc(NC3CC3)nn12
• InChI: InChI=1S/2C15H13F3N6.C15H16N6O.2C14H13FN6/c16-15(17,18)9-1-3-11(4-2-9)20-14-22-21-13-8-7-12(23-24(13)14)19-10-5-6-10;16-15(17,18)9-2-1-3-11(8-9)20-14-22-21-13-7-6-12(23-24(13)14)19-10-4-5-10;1-22-12-4-2-3-11(9-12)17-15-19-18-14-8-7-13(20-21(14)15)16-10-5-6-10;15-9-1-3-11(4-2-9)17-14-19-18-13-8-7-12(20-21(13)14)16-10-5-6-10;15-10-3-1-2-4-11(10)17-14-19-18-13-8-7-12(20-21(13)14)16-9-5-6-9/h1-4,7-8,10H,5-6H2,(H,19,23)(H,20,22);1-3,6-8,10H,4-5H2,(H,19,23)(H,20,22);2-4,7-10H,5-6H2,1H3,(H,16,20)(H,17,19);1-4,7-8,10H,5-6H2,(H,16,20)(H,17,19);1-4,7-9H,5-6H2,(H,16,20)(H,17,19)
• InChIKey: VRYSSQHEZRDZSN-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 344.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1533.54
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?

The IUPAC name of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine (CID 161382987) is 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine.

What is the SMILES notation for 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?

The canonical SMILES for 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine is COc1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.FC(F)(F)c1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.FC(F)(F)c1cccc(Nc2nnc3ccc(NC4CC4)nn23)c1.Fc1ccc(Nc2nnc3ccc(NC4CC4)nn23)cc1.Fc1ccccc1Nc1nnc2ccc(NC3CC3)nn12.

What is the InChIKey of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?

The InChIKey is VRYSSQHEZRDZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H13F3N6.C15H16N6O.2C14H13FN6/c16-15(17,18)9-1-3-11(4-2-9)20-14-22-21-13-8-7-12(23-24(13)14)19-10-5-6-10;16-15(17,18)9-2-1-3-11(8-9)20-14-22-21-13-7-6-12(23-24(13)14)19-10-4-5-10;1-22-12-4-2-3-11(9-12)17-15-19-18-14-8-7-13(20-21(14)15)16-10-5-6-10;15-9-1-3-11(4-2-9)17-14-19-18-13-8-7-12(20-21(13)14)16-10-5-6-10;15-10-3-1-2-4-11(10)17-14-19-18-13-8-7-12(20-21(13)14)16-9-5-6-9/h1-4,7-8,10H,5-6H2,(H,19,23)(H,20,22);1-3,6-8,10H,4-5H2,(H,19,23)(H,20,22);2-4,7-10H,5-6H2,1H3,(H,16,20)(H,17,19);1-4,7-8,10H,5-6H2,(H,16,20)(H,17,19);1-4,7-9H,5-6H2,(H,16,20)(H,17,19).

What are the key properties of 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine?

6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine has a molecular weight of 1533.54 g/mol, XLogP of 14.54, 21 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclopropyl-3-N-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine;6-N-cyclopropyl-3-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-diamine is sourced from PubChem (CID 161382987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).