3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol

C89H80F14N24O7 — CID 161482858

About 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol

3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 161482858) has the molecular formula C89H80F14N24O7 and a molecular weight of 1863.75 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
• PubChem CID: 161482858
• Molecular Formula: C89H80F14N24O7
• Molecular Weight: 1863.75 g/mol
• Exact Mass: 1862.64
• IUPAC Name: 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
• SMILES: CC(F)c1nnc2ccc(-c3ccc(CO)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.COCc1cc(-c2cn3c(C(C)(F)F)nnc3cn2)ccc1OC(F)(F)F.COCc1ccc(-c2ccc3nnc(C(C)F)n3n2)cc1.COCc1ccc(-c2cn3c(C(C)F)nnc3cn2)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12
• InChI: InChI=1S/C16H13F5N4O2.C15H11F5N4O.2C15H15FN4O.2C14H13FN4O/c1-15(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;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-10(16)15-19-18-14-7-17-13(8-20(14)15)12-5-3-11(4-6-12)9-21-2;1-10(16)15-18-17-14-8-7-13(19-20(14)15)12-5-3-11(4-6-12)9-21-2;1-9(15)14-18-17-13-6-16-12(7-19(13)14)11-4-2-10(8-20)3-5-11;1-9(15)14-17-16-13-7-6-12(18-19(13)14)11-4-2-10(8-20)3-5-11/h3-7H,8H2,1-2H3;3-7H,1-2H3;2*3-8,10H,9H2,1-2H3;2*2-7,9,20H,8H2,1H3
• InChIKey: WEPBRSYZJIBZSY-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 345.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.75
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (CID 161482858) is 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.

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

The canonical SMILES for 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is CC(F)c1nnc2ccc(-c3ccc(CO)cc3)nn12.CC(F)c1nnc2cnc(-c3ccc(CO)cc3)cn12.COCc1cc(-c2cn3c(C(C)(F)F)nnc3cn2)ccc1OC(F)(F)F.COCc1ccc(-c2ccc3nnc(C(C)F)n3n2)cc1.COCc1ccc(-c2cn3c(C(C)F)nnc3cn2)cc1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)cn2c(C(C)(F)F)nnc12.

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

The InChIKey is WEPBRSYZJIBZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4O2.C15H11F5N4O.2C15H15FN4O.2C14H13FN4O/c1-15(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;1-8-12-22-23-13(14(2,16)17)24(12)7-11(21-8)9-3-5-10(6-4-9)25-15(18,19)20;1-10(16)15-19-18-14-7-17-13(8-20(14)15)12-5-3-11(4-6-12)9-21-2;1-10(16)15-18-17-14-8-7-13(19-20(14)15)12-5-3-11(4-6-12)9-21-2;1-9(15)14-18-17-13-6-16-12(7-19(13)14)11-4-2-10(8-20)3-5-11;1-9(15)14-17-16-13-7-6-12(18-19(13)14)11-4-2-10(8-20)3-5-11/h3-7H,8H2,1-2H3;3-7H,1-2H3;2*3-8,10H,9H2,1-2H3;2*2-7,9,20H,8H2,1H3.

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

3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 1863.75 g/mol, XLogP of 18.62, 22 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[4-(methoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 161482858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).