propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate

C11H15F3N4O2 — CID 64575744

IUPACpropan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
SMILESCC(C)OC(=O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O2/c1-7(2)20-9(19)6-17-3-4-18-8(5-17)15-16-10(18)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyUEEXIYZALLUABR-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.06
Rot. Bonds3

About propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate

propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate (PubChem CID 64575744) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
PubChem CID64575744
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Namepropan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
SMILESCC(C)OC(=O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H15F3N4O2/c1-7(2)20-9(19)6-17-3-4-18-8(5-17)15-16-10(18)11(12,13)14/h7H,3-6H2,1-2H3
InChIKeyUEEXIYZALLUABR-UHFFFAOYSA-N
XLogP1.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate 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 propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
The IUPAC name of propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate (CID 64575744) is propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate is CC(C)OC(=O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
The InChIKey is UEEXIYZALLUABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-7(2)20-9(19)6-17-3-4-18-8(5-17)15-16-10(18)11(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate has a molecular weight of 292.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate is sourced from PubChem (CID 64575744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).