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

C10H13F3N4O2 — CID 64577241

IUPACethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
SMILESCCOC(=O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N4O2/c1-2-19-8(18)6-16-3-4-17-7(5-16)14-15-9(17)10(11,12)13/h2-6H2,1H3
InChIKeyRSPYRNUGTFGQAS-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.68
Rot. Bonds3

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

ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate (PubChem CID 64577241) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
PubChem CID64577241
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC Nameethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
SMILESCCOC(=O)CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H13F3N4O2/c1-2-19-8(18)6-16-3-4-17-7(5-16)14-15-9(17)10(11,12)13/h2-6H2,1H3
InChIKeyRSPYRNUGTFGQAS-UHFFFAOYSA-N
XLogP0.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 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 ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
The IUPAC name of ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate (CID 64577241) is ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
The canonical SMILES for ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate is CCOC(=O)CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
The InChIKey is RSPYRNUGTFGQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2/c1-2-19-8(18)6-16-3-4-17-7(5-16)14-15-9(17)10(11,12)13/h2-6H2,1H3.
What are the key properties of ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate?
ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate has a molecular weight of 278.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate is sourced from PubChem (CID 64577241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).