4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide

C100H88F10N40O6 — CID 160514091

About 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide

4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (PubChem CID 160514091) has the molecular formula C100H88F10N40O6 and a molecular weight of 2136.06 g/mol. Its IUPAC name is 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.

Molecular Properties

• Compound Name: 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
• PubChem CID: 160514091
• Molecular Formula: C100H88F10N40O6
• Molecular Weight: 2136.06 g/mol
• Exact Mass: 2134.77
• IUPAC Name: 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
• SMILES: C=Cc1nnc(-c2ccc(C(F)(F)F)cc2)n1N/C=N/CC(N)=O.COc1cccc(-c2nnc3ccc(NC4CC4)nn23)c1.COc1ccccc1-c1nnc2ccc(NC3CC3)nn12.N#Cc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1.NC(=O)CNc1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2n1.NC(=O)CNc1ccc2nnc(-c3ccccc3C(F)(F)F)n2n1.NC(=O)CNc1ccc2nnc(-c3ccccc3F)n2n1
• InChI: InChI=1S/C15H12N6.2C15H15N5O.2C14H11F3N6O.C14H13F3N6O.C13H11FN6O/c16-9-10-1-3-11(4-2-10)15-19-18-14-8-7-13(20-21(14)15)17-12-5-6-12;1-21-12-4-2-3-10(9-12)15-18-17-14-8-7-13(19-20(14)15)16-11-5-6-11;1-21-12-5-3-2-4-11(12)15-18-17-14-9-8-13(19-20(14)15)16-10-6-7-10;15-14(16,17)9-3-1-2-8(6-9)13-21-20-12-5-4-11(22-23(12)13)19-7-10(18)24;15-14(16,17)9-4-2-1-3-8(9)13-21-20-12-6-5-11(22-23(12)13)19-7-10(18)24;1-2-12-21-22-13(23(12)20-8-19-7-11(18)24)9-3-5-10(6-4-9)14(15,16)17;14-9-4-2-1-3-8(9)13-18-17-12-6-5-11(19-20(12)13)16-7-10(15)21/h1-4,7-8,12H,5-6H2,(H,17,20);2-4,7-9,11H,5-6H2,1H3,(H,16,19);2-5,8-10H,6-7H2,1H3,(H,16,19);2*1-6H,7H2,(H2,18,24)(H,19,22);2-6,8H,1,7H2,(H2,18,24)(H,19,20);1-6H,7H2,(H2,15,21)(H,16,19)
• InChIKey: QTKNWBYHZUBSIT-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 600.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2136.06
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?

The IUPAC name of 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (CID 160514091) is 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.

What is the SMILES notation for 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?

The canonical SMILES for 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is C=Cc1nnc(-c2ccc(C(F)(F)F)cc2)n1N/C=N/CC(N)=O.COc1cccc(-c2nnc3ccc(NC4CC4)nn23)c1.COc1ccccc1-c1nnc2ccc(NC3CC3)nn12.N#Cc1ccc(-c2nnc3ccc(NC4CC4)nn23)cc1.NC(=O)CNc1ccc2nnc(-c3cccc(C(F)(F)F)c3)n2n1.NC(=O)CNc1ccc2nnc(-c3ccccc3C(F)(F)F)n2n1.NC(=O)CNc1ccc2nnc(-c3ccccc3F)n2n1.

What is the InChIKey of 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?

The InChIKey is QTKNWBYHZUBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6.2C15H15N5O.2C14H11F3N6O.C14H13F3N6O.C13H11FN6O/c16-9-10-1-3-11(4-2-10)15-19-18-14-8-7-13(20-21(14)15)17-12-5-6-12;1-21-12-4-2-3-10(9-12)15-18-17-14-8-7-13(19-20(14)15)16-11-5-6-11;1-21-12-5-3-2-4-11(12)15-18-17-14-9-8-13(19-20(14)15)16-10-6-7-10;15-14(16,17)9-3-1-2-8(6-9)13-21-20-12-5-4-11(22-23(12)13)19-7-10(18)24;15-14(16,17)9-4-2-1-3-8(9)13-21-20-12-6-5-11(22-23(12)13)19-7-10(18)24;1-2-12-21-22-13(23(12)20-8-19-7-11(18)24)9-3-5-10(6-4-9)14(15,16)17;14-9-4-2-1-3-8(9)13-18-17-12-6-5-11(19-20(12)13)16-7-10(15)21/h1-4,7-8,12H,5-6H2,(H,17,20);2-4,7-9,11H,5-6H2,1H3,(H,16,19);2-5,8-10H,6-7H2,1H3,(H,16,19);2*1-6H,7H2,(H2,18,24)(H,19,22);2-6,8H,1,7H2,(H2,18,24)(H,19,20);1-6H,7H2,(H2,15,21)(H,16,19).

What are the key properties of 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?

4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide has a molecular weight of 2136.06 g/mol, XLogP of 12.89, 29 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;N-cyclopropyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-cyclopropyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;2-[[[3-ethenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]amino]methylideneamino]acetamide;2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide;2-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is sourced from PubChem (CID 160514091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).