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

C7H11F3N4 — CID 129060550

IUPAC2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1N=C2CNCCN2C1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-13-6(7(8,9)10)14-3-2-11-4-5(14)12-13/h6,11H,2-4H2,1H3
InChIKeyVOJLCACSLFGCGX-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.04
Rot. Bonds

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

2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 129060550) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID129060550
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1N=C2CNCCN2C1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-13-6(7(8,9)10)14-3-2-11-4-5(14)12-13/h6,11H,2-4H2,1H3
InChIKeyVOJLCACSLFGCGX-UHFFFAOYSA-N
XLogP0.04
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine (CID 129060550) is 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine is CN1N=C2CNCCN2C1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VOJLCACSLFGCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-13-6(7(8,9)10)14-3-2-11-4-5(14)12-13/h6,11H,2-4H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine?
2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 208.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 129060550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).