6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C76H107ClF9N13O6S5 — CID 159476100

About 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 159476100) has the molecular formula C76H107ClF9N13O6S5 and a molecular weight of 1665.55 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
• PubChem CID: 159476100
• Molecular Formula: C76H107ClF9N13O6S5
• Molecular Weight: 1665.55 g/mol
• Exact Mass: 1663.66
• IUPAC Name: 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
• SMILES: C.C.C.C.C.C.C.C.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1.N#CC1CCSCC1.NCC1CCSCC1.O=C1CCSCC1.O=S1(=O)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
• InChI: InChI=1S/C19H19F3N4O3S.C19H19F3N4OS.C13H7ClF3N3O.C6H13NS.C6H9NS.C5H8OS.8CH4/c20-19(21,22)29-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-30(27,28)9-7-13;20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;2*7-5-6-1-3-8-4-2-6;6-5-1-3-7-4-2-5;;;;;;;;/h1-5,10,12-13H,6-9,11H2,(H,23,25);1-5,10,12-13H,6-9,11H2,(H,23,25);1-7H;6H,1-5,7H2;6H,1-4H2;1-4H2;8*1H4
• InChIKey: LWKBKQWYWVXUAV-UHFFFAOYSA-N
• XLogP: 21.24
• TPSA: 243.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.55
LogP ≤ 5	21.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?

The IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 159476100) is 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

What is the SMILES notation for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?

The canonical SMILES for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is C.C.C.C.C.C.C.C.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1.N#CC1CCSCC1.NCC1CCSCC1.O=C1CCSCC1.O=S1(=O)CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.

What is the InChIKey of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?

The InChIKey is LWKBKQWYWVXUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S.C19H19F3N4OS.C13H7ClF3N3O.C6H13NS.C6H9NS.C5H8OS.8CH4/c20-19(21,22)29-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-30(27,28)9-7-13;20-19(21,22)27-15-3-1-2-14(10-15)16-12-24-18-5-4-17(25-26(16)18)23-11-13-6-8-28-9-7-13;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;2*7-5-6-1-3-8-4-2-6;6-5-1-3-7-4-2-5;;;;;;;;/h1-5,10,12-13H,6-9,11H2,(H,23,25);1-5,10,12-13H,6-9,11H2,(H,23,25);1-7H;6H,1-5,7H2;6H,1-4H2;1-4H2;8*1H4.

What are the key properties of 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?

6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 1665.55 g/mol, XLogP of 21.24, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;methane;thiane-4-carbonitrile;thian-4-one;thian-4-ylmethanamine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 159476100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).