3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

C106H81Br2F3N54OS3 — CID 162042928

About 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (PubChem CID 162042928) has the molecular formula C106H81Br2F3N54OS3 and a molecular weight of 2440.19 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
• PubChem CID: 162042928
• Molecular Formula: C106H81Br2F3N54OS3
• Molecular Weight: 2440.19 g/mol
• Exact Mass: 2436.54
• IUPAC Name: 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
• SMILES: Brc1cnc2nnn(Cc3cc4[nH]ccc4s3)c2n1.Brc1cnc2nnn(Cc3ccc4ccnn4c3)c2n1.Cn1cc(-c2cnc3nnn(Cc4cc5ccccc5s4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccn5cccc5n4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4cn5cccc5cn4)c3n2)cn1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccn5cccc5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4cc5c(s4)C=CC5)c3n2)cn1
• InChI: InChI=1S/C17H12F3N9.C17H15N7OS.C17H13N7S.2C16H13N9.C12H8BrN7.C11H7BrN6S/c18-17(19,20)10-28-8-11(6-22-28)13-7-21-15-16(24-13)29(26-25-15)9-12-3-5-27-4-1-2-14(27)23-12;25-5-4-23-9-12(7-19-23)14-8-18-16-17(20-14)24(22-21-16)10-13-6-11-2-1-3-15(11)26-13;1-23-9-12(7-19-23)14-8-18-16-17(20-14)24(22-21-16)10-13-6-11-4-2-3-5-15(11)25-13;1-23-9-11(7-18-23)13-8-17-15-16(20-13)25(22-21-15)10-12-4-6-24-5-2-3-14(24)19-12;1-23-8-11(5-19-23)14-7-18-15-16(20-14)25(22-21-15)10-12-9-24-4-2-3-13(24)6-17-12;13-10-5-14-11-12(16-10)20(18-17-11)7-8-1-2-9-3-4-15-19(9)6-8;12-9-4-14-10-11(15-9)18(17-16-10)5-6-3-7-8(19-6)1-2-13-7/h1-8H,9-10H2;1,3,6-9,25H,2,4-5,10H2;3*2-9H,10H2,1H3;1-6H,7H2;1-4,13H,5H2
• InChIKey: YXNCESDALIEBJC-UHFFFAOYSA-N
• XLogP: 13.87
• TPSA: 589.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 57
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.19
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

The IUPAC name of 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (CID 162042928) is 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

What is the SMILES notation for 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

The canonical SMILES for 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is Brc1cnc2nnn(Cc3cc4[nH]ccc4s3)c2n1.Brc1cnc2nnn(Cc3ccc4ccnn4c3)c2n1.Cn1cc(-c2cnc3nnn(Cc4cc5ccccc5s4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccn5cccc5n4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4cn5cccc5cn4)c3n2)cn1.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccn5cccc5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4cc5c(s4)C=CC5)c3n2)cn1.

What is the InChIKey of 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

The InChIKey is YXNCESDALIEBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N9.C17H15N7OS.C17H13N7S.2C16H13N9.C12H8BrN7.C11H7BrN6S/c18-17(19,20)10-28-8-11(6-22-28)13-7-21-15-16(24-13)29(26-25-15)9-12-3-5-27-4-1-2-14(27)23-12;25-5-4-23-9-12(7-19-23)14-8-18-16-17(20-14)24(22-21-16)10-13-6-11-2-1-3-15(11)26-13;1-23-9-12(7-19-23)14-8-18-16-17(20-14)24(22-21-16)10-13-6-11-4-2-3-5-15(11)25-13;1-23-9-11(7-18-23)13-8-17-15-16(20-13)25(22-21-15)10-12-4-6-24-5-2-3-14(24)19-12;1-23-8-11(5-19-23)14-7-18-15-16(20-14)25(22-21-15)10-12-9-24-4-2-3-13(24)6-17-12;13-10-5-14-11-12(16-10)20(18-17-11)7-8-1-2-9-3-4-15-19(9)6-8;12-9-4-14-10-11(15-9)18(17-16-10)5-6-3-7-8(19-6)1-2-13-7/h1-8H,9-10H2;1,3,6-9,25H,2,4-5,10H2;3*2-9H,10H2,1H3;1-6H,7H2;1-4,13H,5H2.

What are the key properties of 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine has a molecular weight of 2440.19 g/mol, XLogP of 13.87, 22 rotatable bonds, 2 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-2-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-bromo-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(4H-cyclopenta[b]thiophen-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrazin-3-ylmethyl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 162042928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).