N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C76H56F7N25O2S3 — CID 159180651

About N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 159180651) has the molecular formula C76H56F7N25O2S3 and a molecular weight of 1580.64 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
• PubChem CID: 159180651
• Molecular Formula: C76H56F7N25O2S3
• Molecular Weight: 1580.64 g/mol
• Exact Mass: 1579.41
• IUPAC Name: N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
• SMILES: COc1ccc2nnc(Nc3ccc(C(F)(F)F)cc3)n2n1.COc1ccc2nnc(Nc3ccccc3F)n2n1.Fc1ccc(Nc2nnc3ccc(Sc4ccccc4)nn23)cc1.Fc1cccc(Nc2nnc3ccc(Sc4ccccc4)nn23)c1.Fc1ccccc1Nc1nnc2ccc(Sc3ccccc3)nn12
• InChI: InChI=1S/3C17H12FN5S.C13H10F3N5O.C12H10FN5O/c18-12-5-4-6-13(11-12)19-17-21-20-15-9-10-16(22-23(15)17)24-14-7-2-1-3-8-14;18-13-8-4-5-9-14(13)19-17-21-20-15-10-11-16(22-23(15)17)24-12-6-2-1-3-7-12;18-12-6-8-13(9-7-12)19-17-21-20-15-10-11-16(22-23(15)17)24-14-4-2-1-3-5-14;1-22-11-7-6-10-18-19-12(21(10)20-11)17-9-4-2-8(3-5-9)13(14,15)16;1-19-11-7-6-10-15-16-12(18(10)17-11)14-9-5-3-2-4-8(9)13/h3*1-11H,(H,19,21);2-7H,1H3,(H,17,19);2-7H,1H3,(H,14,16)
• InChIKey: KMVNLMIFTHKGLM-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 294.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.64
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?

The IUPAC name of N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 159180651) is N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

What is the SMILES notation for N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?

The canonical SMILES for N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is COc1ccc2nnc(Nc3ccc(C(F)(F)F)cc3)n2n1.COc1ccc2nnc(Nc3ccccc3F)n2n1.Fc1ccc(Nc2nnc3ccc(Sc4ccccc4)nn23)cc1.Fc1cccc(Nc2nnc3ccc(Sc4ccccc4)nn23)c1.Fc1ccccc1Nc1nnc2ccc(Sc3ccccc3)nn12.

What is the InChIKey of N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?

The InChIKey is KMVNLMIFTHKGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12FN5S.C13H10F3N5O.C12H10FN5O/c18-12-5-4-6-13(11-12)19-17-21-20-15-9-10-16(22-23(15)17)24-14-7-2-1-3-8-14;18-13-8-4-5-9-14(13)19-17-21-20-15-10-11-16(22-23(15)17)24-12-6-2-1-3-7-12;18-12-6-8-13(9-7-12)19-17-21-20-15-10-11-16(22-23(15)17)24-14-4-2-1-3-5-14;1-22-11-7-6-10-18-19-12(21(10)20-11)17-9-4-2-8(3-5-9)13(14,15)16;1-19-11-7-6-10-15-16-12(18(10)17-11)14-9-5-3-2-4-8(9)13/h3*1-11H,(H,19,21);2-7H,1H3,(H,17,19);2-7H,1H3,(H,14,16).

What are the key properties of N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?

N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 1580.64 g/mol, XLogP of 17.39, 18 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(2-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(3-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;N-(4-fluorophenyl)-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-methoxy-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 159180651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).