6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C95H80F23N25O8 — CID 159160769

About 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159160769) has the molecular formula C95H80F23N25O8 and a molecular weight of 2136.81 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 159160769
• Molecular Formula: C95H80F23N25O8
• Molecular Weight: 2136.81 g/mol
• Exact Mass: 2135.63
• IUPAC Name: 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC(C)OCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.CC(F)(F)c1nnc2c(CC(N)=O)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)cn12.CC(F)c1nnc2cnc(-c3ccc(COC(F)(F)F)cc3)cn12.COCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12
• InChI: InChI=1S/C17H13F5N4O.C17H18F2N4O.C16H12F5N5O2.C16H13F5N4O2.C15H12F4N4O.C14H12F2N4O/c1-16(19,20)15-25-24-14-7-23-12(8-26(14)15)9-2-3-13(11(18)4-9)27-10-5-17(21,22)6-10;1-11(2)24-10-12-4-6-13(7-5-12)14-9-23-15(8-20-14)21-22-16(23)17(3,18)19;1-15(17,18)14-24-23-13-9(7-12(22)27)6-11(25-26(13)14)8-2-4-10(5-3-8)28-16(19,20)21;1-15(17,18)14-23-22-13-10(8-26-2)7-12(24-25(13)14)9-3-5-11(6-4-9)27-16(19,20)21;1-9(16)14-22-21-13-6-20-12(7-23(13)14)11-4-2-10(3-5-11)8-24-15(17,18)19;1-14(15,16)13-19-18-12-6-17-11(7-20(12)13)10-4-2-9(8-21)3-5-10/h2-4,7-8,10H,5-6H2,1H3;4-9,11H,10H2,1-3H3;2-6H,7H2,1H3,(H2,22,27);3-7H,8H2,1-2H3;2-7,9H,8H2,1H3;2-7,21H,8H2,1H3
• InChIKey: KKLMGIYATHTDFZ-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 377.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2136.81
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 159160769) is 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)OCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.CC(F)(F)c1nnc2c(CC(N)=O)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)cn12.CC(F)c1nnc2cnc(-c3ccc(COC(F)(F)F)cc3)cn12.COCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.

What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is KKLMGIYATHTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O.C17H18F2N4O.C16H12F5N5O2.C16H13F5N4O2.C15H12F4N4O.C14H12F2N4O/c1-16(19,20)15-25-24-14-7-23-12(8-26(14)15)9-2-3-13(11(18)4-9)27-10-5-17(21,22)6-10;1-11(2)24-10-12-4-6-13(7-5-12)14-9-23-15(8-20-14)21-22-16(23)17(3,18)19;1-15(17,18)14-24-23-13-9(7-12(22)27)6-11(25-26(13)14)8-2-4-10(5-3-8)28-16(19,20)21;1-15(17,18)14-23-22-13-10(8-26-2)7-12(24-25(13)14)9-3-5-11(6-4-9)27-16(19,20)21;1-9(16)14-22-21-13-6-20-12(7-23(13)14)11-4-2-10(3-5-11)8-24-15(17,18)19;1-14(15,16)13-19-18-12-6-17-11(7-20(12)13)10-4-2-9(8-21)3-5-10/h2-4,7-8,10H,5-6H2,1H3;4-9,11H,10H2,1-3H3;2-6H,7H2,1H3,(H2,22,27);3-7H,8H2,1-2H3;2-7,9H,8H2,1H3;2-7,21H,8H2,1H3.

What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2136.81 g/mol, XLogP of 21.08, 26 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(propan-2-yloxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159160769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).