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

C21H17F3N4O2 — CID 146470305

IUPAC6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cn2c(COCc3ccccc3)nnc2cn1
InChIInChI=1S/C21H17F3N4O2/c1-14-9-16(30-21(22,23)24)7-8-17(14)18-11-28-19(10-25-18)26-27-20(28)13-29-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyQSYDRYPVNGRZGV-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.72
Rot. Bonds6

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

6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 146470305) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID146470305
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1cn2c(COCc3ccccc3)nnc2cn1
InChIInChI=1S/C21H17F3N4O2/c1-14-9-16(30-21(22,23)24)7-8-17(14)18-11-28-19(10-25-18)26-27-20(28)13-29-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyQSYDRYPVNGRZGV-UHFFFAOYSA-N
XLogP4.72
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 163884283
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555663
3-[bromo(difluoro)methyl]-6-(2-fluoro-5-methyl-4-phenylmethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470334
3-[chloro(difluoro)methyl]-6-(2-methyl-4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470274
3-[ethoxy(difluoro)methyl]-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 147934128
3-[bromo(difluoro)methyl]-6-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470288
3-(phenylmethoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555553
3-(difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362306
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
ethyl 2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 134544072
6-[4-(3,3-difluorocyclobutyl)oxy-2-methylphenyl]-3-[difluoro(methoxy)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 146470335
6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 134555591

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 146470305) is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is Cc1cc(OC(F)(F)F)ccc1-c1cn2c(COCc3ccccc3)nnc2cn1.
What is the InChIKey of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QSYDRYPVNGRZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c1-14-9-16(30-21(22,23)24)7-8-17(14)18-11-28-19(10-25-18)26-27-20(28)13-29-12-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 414.39 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(phenylmethoxymethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 146470305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).