5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

C8H12ClF3N4 — CID 24777310

IUPAC5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCC1NCC(C)n2c1nnc2C(F)(F)F.Cl
InChIInChI=1S/C8H11F3N4.ClH/c1-4-3-12-5(2)6-13-14-7(15(4)6)8(9,10)11;/h4-5,12H,3H2,1-2H3;1H
InChIKeyOXOMIYAQUUULKE-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.94
Rot. Bonds

About 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 24777310) has the molecular formula C8H12ClF3N4 and a molecular weight of 256.66 g/mol. Its IUPAC name is 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID24777310
Molecular FormulaC8H12ClF3N4
Molecular Weight256.66 g/mol
Exact Mass256.07
IUPAC Name5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCC1NCC(C)n2c1nnc2C(F)(F)F.Cl
InChIInChI=1S/C8H11F3N4.ClH/c1-4-3-12-5(2)6-13-14-7(15(4)6)8(9,10)11;/h4-5,12H,3H2,1-2H3;1H
InChIKeyOXOMIYAQUUULKE-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride 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 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 24777310) is 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is CC1NCC(C)n2c1nnc2C(F)(F)F.Cl.
What is the InChIKey of 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is OXOMIYAQUUULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4.ClH/c1-4-3-12-5(2)6-13-14-7(15(4)6)8(9,10)11;/h4-5,12H,3H2,1-2H3;1H.
What are the key properties of 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 256.66 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 24777310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).