3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H13F6N5O2 — CID 156754754

IUPAC3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(COC(F)F)nnc3cn2)cnc1OC1(C(F)(F)F)CCC1
InChIInChI=1S/C17H13F6N5O2/c18-10-4-9(5-25-14(10)30-16(2-1-3-16)17(21,22)23)11-7-28-12(6-24-11)26-27-13(28)8-29-15(19)20/h4-7,15H,1-3,8H2
InChIKeyXDVGIPZMQOXZMC-UHFFFAOYSA-N
MW433.31 g/mol
LogP3.93
Rot. Bonds6

About 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 156754754) has the molecular formula C17H13F6N5O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID156754754
Molecular FormulaC17H13F6N5O2
Molecular Weight433.31 g/mol
Exact Mass433.10
IUPAC Name3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1cc(-c2cn3c(COC(F)F)nnc3cn2)cnc1OC1(C(F)(F)F)CCC1
InChIInChI=1S/C17H13F6N5O2/c18-10-4-9(5-25-14(10)30-16(2-1-3-16)17(21,22)23)11-7-28-12(6-24-11)26-27-13(28)8-29-15(19)20/h4-7,15H,1-3,8H2
InChIKeyXDVGIPZMQOXZMC-UHFFFAOYSA-N
XLogP3.93
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
Prax-562
CID 147075611
4-[2-[4-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11419123
3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 52932517
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
7-[4-(2,6-Dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(ethoxymethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66787433
4-[2-Methyl-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139180
6-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 87178559
US9518055, Example 18
CID 71535106
2-(3-Fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45271580
2-(4-Fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45273367

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 156754754) is 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1cc(-c2cn3c(COC(F)F)nnc3cn2)cnc1OC1(C(F)(F)F)CCC1.
What is the InChIKey of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XDVGIPZMQOXZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O2/c18-10-4-9(5-25-14(10)30-16(2-1-3-16)17(21,22)23)11-7-28-12(6-24-11)26-27-13(28)8-29-15(19)20/h4-7,15H,1-3,8H2.
What are the key properties of 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 433.31 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 156754754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).