6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C98H77F24N27O7 — CID 158984707

About 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158984707) has the molecular formula C98H77F24N27O7 and a molecular weight of 2200.83 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 158984707
• Molecular Formula: C98H77F24N27O7
• Molecular Weight: 2200.83 g/mol
• Exact Mass: 2199.61
• IUPAC Name: 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.CC(F)(F)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)cc3)cn12.COCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.Cc1cc(OC2CC(F)(F)C2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Fc1ccc(-c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
• InChI: InChI=1S/C18H10F5N5O.C18H16F4N4O.C17H15F3N4O.C16H12F5N5O2.C15H14F2N4O.C14H10F5N5O/c19-12-3-1-10(2-4-12)16-27-26-15-7-24-14(8-28(15)16)11-5-13(20)17(25-6-11)29-9-18(21,22)23;1-10-5-11(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;1-10(18)16-23-22-15-8-21-14(9-24(15)16)11-2-4-12(5-3-11)25-13-6-17(19,20)7-13;1-8(27)22-12-7-11(9-3-5-10(6-4-9)28-16(19,20)21)25-26-13(12)23-24-14(26)15(2,17)18;1-15(16,17)14-20-19-13-7-18-12(8-21(13)14)11-5-3-10(4-6-11)9-22-2;1-13(15,16)12-22-21-11-9(20)6-10(23-24(11)12)7-2-4-8(5-3-7)25-14(17,18)19/h1-8H,9H2;3-5,8-9,12H,6-7H2,1-2H3;2-5,8-10,13H,6-7H2,1H3;3-7H,1-2H3,(H,22,27);3-8H,9H2,1-2H3;2-6H,20H2,1H3
• InChIKey: JPKWGCVNOBOFSA-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 381.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.83
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 158984707) is 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12.CC(F)(F)c1nnc2c(N)cc(-c3ccc(OC(F)(F)F)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)cc3)cn12.COCc1ccc(-c2cn3c(C(C)(F)F)nnc3cn2)cc1.Cc1cc(OC2CC(F)(F)C2)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.Fc1ccc(-c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1.

What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is JPKWGCVNOBOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N5O.C18H16F4N4O.C17H15F3N4O.C16H12F5N5O2.C15H14F2N4O.C14H10F5N5O/c19-12-3-1-10(2-4-12)16-27-26-15-7-24-14(8-28(15)16)11-5-13(20)17(25-6-11)29-9-18(21,22)23;1-10-5-11(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;1-10(18)16-23-22-15-8-21-14(9-24(15)16)11-2-4-12(5-3-11)25-13-6-17(19,20)7-13;1-8(27)22-12-7-11(9-3-5-10(6-4-9)28-16(19,20)21)25-26-13(12)23-24-14(26)15(2,17)18;1-15(16,17)14-20-19-13-7-18-12(8-21(13)14)11-5-3-10(4-6-11)9-22-2;1-13(15,16)12-22-21-11-9(20)6-10(23-24(11)12)7-2-4-8(5-3-7)25-14(17,18)19/h1-8H,9H2;3-5,8-9,12H,6-7H2,1-2H3;2-5,8-10,13H,6-7H2,1H3;3-7H,1-2H3,(H,22,27);3-8H,9H2,1-2H3;2-6H,20H2,1H3.

What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[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;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2200.83 g/mol, XLogP of 22.65, 23 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide;3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158984707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).