5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine

C8H11F3N4 — CID 24777575

IUPAC5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(C)CNCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C8H11F3N4/c1-7(2)4-12-3-5-13-14-6(15(5)7)8(9,10)11/h12H,3-4H2,1-2H3
InChIKeyQIWPQNRZCNMWQG-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.14
Rot. Bonds

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

5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 24777575) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID24777575
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(C)CNCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C8H11F3N4/c1-7(2)4-12-3-5-13-14-6(15(5)7)8(9,10)11/h12H,3-4H2,1-2H3
InChIKeyQIWPQNRZCNMWQG-UHFFFAOYSA-N
XLogP1.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine (CID 24777575) is 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine is CC1(C)CNCc2nnc(C(F)(F)F)n21.
What is the InChIKey of 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QIWPQNRZCNMWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-7(2)4-12-3-5-13-14-6(15(5)7)8(9,10)11/h12H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine?
5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 220.20 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 24777575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).