3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C17H15F5N4O3 — CID 147934128

IUPAC3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3COC)cn12
InChIInChI=1S/C17H15F5N4O3/c1-3-28-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(29-17(20,21)22)6-10(12)9-27-2/h4-8H,3,9H2,1-2H3
InChIKeyIKLOEUVNAIFCPJ-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.92
Rot. Bonds7

About 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 147934128) has the molecular formula C17H15F5N4O3 and a molecular weight of 418.32 g/mol. Its IUPAC name is 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID147934128
Molecular FormulaC17H15F5N4O3
Molecular Weight418.32 g/mol
Exact Mass418.11
IUPAC Name3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCOC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3COC)cn12
InChIInChI=1S/C17H15F5N4O3/c1-3-28-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(29-17(20,21)22)6-10(12)9-27-2/h4-8H,3,9H2,1-2H3
InChIKeyIKLOEUVNAIFCPJ-UHFFFAOYSA-N
XLogP3.92
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884283
3-[bromo(difluoro)methyl]-6-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470288
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470305
6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555591
6-(4-ethoxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555560
3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362306
ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 134544072
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362297
2-bromo-5-chloropyrazine;(2-chloro-2,2-difluoroacetyl) 2-chloro-2,2-difluoroacetate;3-[chloro(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-chloro-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazine;diazene;3-[difluoro(methoxy)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;methane;[5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazin-2-yl]hydrazine;2-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen;oxosilver;trifluoro(sulfinato)methane
CID 163544319
6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470335
3-[chloro(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470274

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 147934128) is 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is CCOC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3COC)cn12.
What is the InChIKey of 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is IKLOEUVNAIFCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N4O3/c1-3-28-16(18,19)15-25-24-14-7-23-13(8-26(14)15)12-5-4-11(29-17(20,21)22)6-10(12)9-27-2/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 418.32 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 147934128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).