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

C12H11Cl2F3N4 — CID 155294550

IUPAC8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nnc2n1CCNC2c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClF3N4.ClH/c13-8-3-1-7(2-4-8)9-10-18-19-11(12(14,15)16)20(10)6-5-17-9;/h1-4,9,17H,5-6H2;1H
InChIKeyCXBFHYPMBQYMKK-UHFFFAOYSA-N
MW339.15 g/mol
LogP3.06
Rot. Bonds1

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

8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 155294550) has the molecular formula C12H11Cl2F3N4 and a molecular weight of 339.15 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID155294550
Molecular FormulaC12H11Cl2F3N4
Molecular Weight339.15 g/mol
Exact Mass338.03
IUPAC Name8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.FC(F)(F)c1nnc2n1CCNC2c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClF3N4.ClH/c13-8-3-1-7(2-4-8)9-10-18-19-11(12(14,15)16)20(10)6-5-17-9;/h1-4,9,17H,5-6H2;1H
InChIKeyCXBFHYPMBQYMKK-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-8-carboxylic acid
CID 123599709
(8R)-3-(difluoromethyl)-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 155294556
3-tert-butyl-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792242
3,8-dipyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792330
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 11961371
3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 83151447
3-cyclohexyl-8-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792335
4-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiadiazole
CID 65216249
3,8-ditert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792161
8-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792181
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine;hydrochloride
CID 170903718
3-(1,1,2,2,2-pentafluoroethyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792563

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 155294550) is 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is Cl.FC(F)(F)c1nnc2n1CCNC2c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is CXBFHYPMBQYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4.ClH/c13-8-3-1-7(2-4-8)9-10-18-19-11(12(14,15)16)20(10)6-5-17-9;/h1-4,9,17H,5-6H2;1H.
What are the key properties of 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 339.15 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 155294550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).