2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C81H95F9IN21O5Si2 — CID 158902387

About 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158902387) has the molecular formula C81H95F9IN21O5Si2 and a molecular weight of 1796.85 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 158902387
• Molecular Formula: C81H95F9IN21O5Si2
• Molecular Weight: 1796.85 g/mol
• Exact Mass: 1795.63
• IUPAC Name: 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCn5c(nnc5C(F)(F)F)C4)c3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(I)c3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CCn5c(nnc5C(F)(F)F)C4)c3)nc12.FC(F)(F)c1nnc2n1CCNC2
• InChI: InChI=1S/C29H36F3N7O2Si.C23H22F3N7O.C23H30IN3O2Si.C6H7F3N4/c1-28(2,3)25(40)21-16-38(18-41-12-13-42(4,5)6)26-24(21)34-22(15-33-26)19-8-7-9-20(14-19)37-10-11-39-23(17-37)35-36-27(39)29(30,31)32;1-22(2,3)19(34)15-10-27-20-18(15)29-16(11-28-20)13-5-4-6-14(9-13)32-7-8-33-17(12-32)30-31-21(33)23(24,25)26;1-23(2,3)21(28)18-14-27(15-29-10-11-30(4,5)6)22-20(18)26-19(13-25-22)16-8-7-9-17(24)12-16;7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h7-9,14-16H,10-13,17-18H2,1-6H3;4-6,9-11H,7-8,12H2,1-3H3,(H,27,28);7-9,12-14H,10-11,15H2,1-6H3;10H,1-3H2
• InChIKey: JFPNJZNAVDDHQC-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 283.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.85
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 158902387) is 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cccc(N4CCn5c(nnc5C(F)(F)F)C4)c3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(I)c3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cccc(N4CCn5c(nnc5C(F)(F)F)C4)c3)nc12.FC(F)(F)c1nnc2n1CCNC2.

What is the InChIKey of 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is JFPNJZNAVDDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N7O2Si.C23H22F3N7O.C23H30IN3O2Si.C6H7F3N4/c1-28(2,3)25(40)21-16-38(18-41-12-13-42(4,5)6)26-24(21)34-22(15-33-26)19-8-7-9-20(14-19)37-10-11-39-23(17-37)35-36-27(39)29(30,31)32;1-22(2,3)19(34)15-10-27-20-18(15)29-16(11-28-20)13-5-4-6-14(9-13)32-7-8-33-17(12-32)30-31-21(33)23(24,25)26;1-23(2,3)21(28)18-14-27(15-29-10-11-30(4,5)6)22-20(18)26-19(13-25-22)16-8-7-9-17(24)12-16;7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h7-9,14-16H,10-13,17-18H2,1-6H3;4-6,9-11H,7-8,12H2,1-3H3,(H,27,28);7-9,12-14H,10-11,15H2,1-6H3;10H,1-3H2.

What are the key properties of 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?

2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 1796.85 g/mol, XLogP of 17.40, 18 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158902387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).