benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate

C15H15F3N4O2 — CID 69362686

IUPACbenzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate
SMILESO=C(CC1NCCn2nc(C(F)(F)F)nc21)OCc1ccccc1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)14-20-13-11(19-6-7-22(13)21-14)8-12(23)24-9-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2
InChIKeyRMIAAOUVXZMFPH-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.07
Rot. Bonds4

About benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate

benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate (PubChem CID 69362686) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate
PubChem CID69362686
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Namebenzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate
SMILESO=C(CC1NCCn2nc(C(F)(F)F)nc21)OCc1ccccc1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)14-20-13-11(19-6-7-22(13)21-14)8-12(23)24-9-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2
InChIKeyRMIAAOUVXZMFPH-UHFFFAOYSA-N
XLogP2.07
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate with MolForge

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Related Compounds

N,N-dimethyl-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetamide
CID 69364521
2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 70046324
benzyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
CID 952327
benzyl 2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]acetate
CID 110282921
benzyl 2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetate
CID 110283700
benzyl 2-morpholin-2-ylacetate
CID 66434624
benzyl 2-[(4R)-2-hydroxy-1,3-oxazolidin-4-yl]acetate
CID 170406957
6-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174647596
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
CID 11257534

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate?
The IUPAC name of benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate (CID 69362686) is benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate.
What is the SMILES notation for benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate?
The canonical SMILES for benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate is O=C(CC1NCCn2nc(C(F)(F)F)nc21)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate?
The InChIKey is RMIAAOUVXZMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)14-20-13-11(19-6-7-22(13)21-14)8-12(23)24-9-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2.
What are the key properties of benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate?
benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate has a molecular weight of 340.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetate is sourced from PubChem (CID 69362686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).