3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane

C36H38F10N10O4 — CID 156747065

About 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane

3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane (PubChem CID 156747065) has the molecular formula C36H38F10N10O4 and a molecular weight of 864.75 g/mol. Its IUPAC name is 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane.

Molecular Properties

• Compound Name: 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane
• PubChem CID: 156747065
• Molecular Formula: C36H38F10N10O4
• Molecular Weight: 864.75 g/mol
• Exact Mass: 864.29
• IUPAC Name: 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane
• SMILES: CCC.CCOC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C(C)C)C(F)(F)F)nc3)cn12
• InChI: InChI=1S/C18H18F5N5O2.C15H12F5N5O2.C3H8/c1-4-29-18(22,23)16-27-26-13-8-24-12(9-28(13)16)11-5-6-14(25-7-11)30-15(10(2)3)17(19,20)21;1-2-27-15(19,20)13-24-23-11-6-21-10(7-25(11)13)9-3-4-12(22-5-9)26-8-14(16,17)18;1-3-2/h5-10,15H,4H2,1-3H3;3-7H,2,8H2,1H3;3H2,1-2H3/t15-;;/m0../s1
• InChIKey: WFLFHBBUGUJJCF-CKUXDGONSA-N
• XLogP: 8.87
• TPSA: 148.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	864.75
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?

The IUPAC name of 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane (CID 156747065) is 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane.

What is the SMILES notation for 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?

The canonical SMILES for 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane is CCC.CCOC(F)(F)c1nnc2cnc(-c3ccc(OCC(F)(F)F)nc3)cn12.CCOC(F)(F)c1nnc2cnc(-c3ccc(O[C@@H](C(C)C)C(F)(F)F)nc3)cn12.

What is the InChIKey of 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?

The InChIKey is WFLFHBBUGUJJCF-CKUXDGONSA-N. The full InChI is InChI=1S/C18H18F5N5O2.C15H12F5N5O2.C3H8/c1-4-29-18(22,23)16-27-26-13-8-24-12(9-28(13)16)11-5-6-14(25-7-11)30-15(10(2)3)17(19,20)21;1-2-27-15(19,20)13-24-23-11-6-21-10(7-25(11)13)9-3-4-12(22-5-9)26-8-14(16,17)18;1-3-2/h5-10,15H,4H2,1-3H3;3-7H,2,8H2,1H3;3H2,1-2H3/t15-;;/m0../s1.

What are the key properties of 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane?

3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane has a molecular weight of 864.75 g/mol, XLogP of 8.87, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[ethoxy(difluoro)methyl]-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-[ethoxy(difluoro)methyl]-6-[6-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;propane is sourced from PubChem (CID 156747065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).