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

C8H12ClF3N4 — CID 131726716

IUPAC6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCC1Cn2c(nnc2C(F)(F)F)C(C)N1.Cl
InChIInChI=1S/C8H11F3N4.ClH/c1-4-3-15-6(5(2)12-4)13-14-7(15)8(9,10)11;/h4-5,12H,3H2,1-2H3;1H
InChIKeyKTDDZPSPCMGHJD-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.77
Rot. Bonds

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

6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 131726716) has the molecular formula C8H12ClF3N4 and a molecular weight of 256.66 g/mol. Its IUPAC name is 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID131726716
Molecular FormulaC8H12ClF3N4
Molecular Weight256.66 g/mol
Exact Mass256.07
IUPAC Name6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCC1Cn2c(nnc2C(F)(F)F)C(C)N1.Cl
InChIInChI=1S/C8H11F3N4.ClH/c1-4-3-15-6(5(2)12-4)13-14-7(15)8(9,10)11;/h4-5,12H,3H2,1-2H3;1H
InChIKeyKTDDZPSPCMGHJD-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 131726716) is 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is CC1Cn2c(nnc2C(F)(F)F)C(C)N1.Cl.
What is the InChIKey of 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is KTDDZPSPCMGHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4.ClH/c1-4-3-15-6(5(2)12-4)13-14-7(15)8(9,10)11;/h4-5,12H,3H2,1-2H3;1H.
What are the key properties of 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
6,8-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 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 131726716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).