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

C17H13F6N5O — CID 159052297

IUPAC3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12
InChIInChI=1S/C17H13F6N5O/c1-15(19,20)14-27-26-12-7-24-11(8-28(12)14)9-5-10(18)13(25-6-9)29-16(3-2-4-16)17(21,22)23/h5-8H,2-4H2,1H3
InChIKeyDEIXSAHXXGMMFL-UHFFFAOYSA-N
MW417.31 g/mol
LogP4.30
Rot. Bonds4

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

3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159052297) has the molecular formula C17H13F6N5O and a molecular weight of 417.31 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159052297
Molecular FormulaC17H13F6N5O
Molecular Weight417.31 g/mol
Exact Mass417.10
IUPAC Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(F)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12
InChIInChI=1S/C17H13F6N5O/c1-15(19,20)14-27-26-12-7-24-11(8-28(12)14)9-5-10(18)13(25-6-9)29-16(3-2-4-16)17(21,22)23/h5-8H,2-4H2,1H3
InChIKeyDEIXSAHXXGMMFL-UHFFFAOYSA-N
XLogP4.30
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-difluoroethyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 159052297) is 3-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC(F)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DEIXSAHXXGMMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O/c1-15(19,20)14-27-26-12-7-24-11(8-28(12)14)9-5-10(18)13(25-6-9)29-16(3-2-4-16)17(21,22)23/h5-8H,2-4H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 417.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159052297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).