3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane

C36H35ClF12N10O4 — CID 157304072

About 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane

3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane (PubChem CID 157304072) has the molecular formula C36H35ClF12N10O4 and a molecular weight of 935.17 g/mol. Its IUPAC name is 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane.

Molecular Properties

• Compound Name: 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane
• PubChem CID: 157304072
• Molecular Formula: C36H35ClF12N10O4
• Molecular Weight: 935.17 g/mol
• Exact Mass: 934.23
• IUPAC Name: 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane
• SMILES: C.C.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(-c2cn3c(C(F)(F)OCC4CC4)nnc3cn2)cnc1OCC(F)(F)F.OCC1CC1
• InChI: InChI=1S/C17H13F6N5O2.C13H6ClF6N5O.C4H8O.2CH4/c18-11-3-10(4-25-14(11)29-8-16(19,20)21)12-6-28-13(5-24-12)26-27-15(28)17(22,23)30-7-9-1-2-9;14-13(19,20)11-24-23-9-3-21-8(4-25(9)11)6-1-7(15)10(22-2-6)26-5-12(16,17)18;5-3-4-1-2-4;;/h3-6,9H,1-2,7-8H2;1-4H,5H2;4-5H,1-3H2;2*1H4
• InChIKey: BCFXZXXXDKYFAR-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 159.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.17
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The IUPAC name of 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane (CID 157304072) is 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane.

What is the SMILES notation for 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The canonical SMILES for 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane is C.C.Fc1cc(-c2cn3c(C(F)(F)Cl)nnc3cn2)cnc1OCC(F)(F)F.Fc1cc(-c2cn3c(C(F)(F)OCC4CC4)nnc3cn2)cnc1OCC(F)(F)F.OCC1CC1.

What is the InChIKey of 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane?

The InChIKey is BCFXZXXXDKYFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O2.C13H6ClF6N5O.C4H8O.2CH4/c18-11-3-10(4-25-14(11)29-8-16(19,20)21)12-6-28-13(5-24-12)26-27-15(28)17(22,23)30-7-9-1-2-9;14-13(19,20)11-24-23-9-3-21-8(4-25(9)11)6-1-7(15)10(22-2-6)26-5-12(16,17)18;5-3-4-1-2-4;;/h3-6,9H,1-2,7-8H2;1-4H,5H2;4-5H,1-3H2;2*1H4.

What are the key properties of 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane?

3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane has a molecular weight of 935.17 g/mol, XLogP of 8.96, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[chloro(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;cyclopropylmethanol;3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane is sourced from PubChem (CID 157304072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).