6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C83H69F23N20O6 — CID 161156927

About 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 161156927) has the molecular formula C83H69F23N20O6 and a molecular weight of 1879.55 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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 161156927
• Molecular Formula: C83H69F23N20O6
• Molecular Weight: 1879.55 g/mol
• Exact Mass: 1878.53
• IUPAC Name: 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)cn12.COCc1cc(-c2cn3c(C(C)(F)F)nnc3cn2)ccc1C(F)(F)F.COCc1cc(-c2cn3c(C(C)(F)F)nnc3cn2)ccc1OC(F)(F)F.COCc1cc(-c2cn3c(C(C)F)nnc3cn2)ccc1C(F)(F)F.Cc1cc(OC2CC(F)(F)C2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1
• InChI: InChI=1S/C18H16F4N4O.C17H13F5N4O.C16H13F5N4O2.C16H13F5N4O.C16H14F4N4O/c1-10-5-11(27-12-6-18(21,22)7-12)3-4-13(10)14-9-26-15(8-23-14)24-25-16(26)17(2,19)20;1-16(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;1-15(17,18)14-24-23-13-6-22-11(7-25(13)14)9-3-4-12(27-16(19,20)21)10(5-9)8-26-2;1-15(17,18)14-24-23-13-6-22-12(7-25(13)14)9-3-4-11(16(19,20)21)10(5-9)8-26-2;1-9(17)15-23-22-14-6-21-13(7-24(14)15)10-3-4-12(16(18,19)20)11(5-10)8-25-2/h3-5,8-9,12H,6-7H2,1-2H3;2-4,7-8,10H,5-6H2,1H3;3-7H,8H2,1-2H3;3-7H,8H2,1-2H3;3-7,9H,8H2,1-2H3
• InChIKey: UPKKOZPNIBNQPU-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 270.78 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.55
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 161156927) is 6-[4-(3,3-difluorocyclobutyl)oxy-3-fluorophenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)c(F)c3)cn12.COCc1cc(-c2cn3c(C(C)(F)F)nnc3cn2)ccc1C(F)(F)F.COCc1cc(-c2cn3c(C(C)(F)F)nnc3cn2)ccc1OC(F)(F)F.COCc1cc(-c2cn3c(C(C)F)nnc3cn2)ccc1C(F)(F)F.Cc1cc(OC2CC(F)(F)C2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.

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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is UPKKOZPNIBNQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O.C17H13F5N4O.C16H13F5N4O2.C16H13F5N4O.C16H14F4N4O/c1-10-5-11(27-12-6-18(21,22)7-12)3-4-13(10)14-9-26-15(8-23-14)24-25-16(26)17(2,19)20;1-16(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;1-15(17,18)14-24-23-13-6-22-11(7-25(13)14)9-3-4-12(27-16(19,20)21)10(5-9)8-26-2;1-15(17,18)14-24-23-13-6-22-12(7-25(13)14)9-3-4-11(16(19,20)21)10(5-9)8-26-2;1-9(17)15-23-22-14-6-21-13(7-24(14)15)10-3-4-12(16(18,19)20)11(5-10)8-25-2/h3-5,8-9,12H,6-7H2,1-2H3;2-4,7-8,10H,5-6H2,1H3;3-7H,8H2,1-2H3;3-7H,8H2,1-2H3;3-7,9H,8H2,1-2H3.

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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1879.55 g/mol, XLogP of 20.61, 21 rotatable bonds, 0 hydrogen bond donors, and 26 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;6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 161156927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).