N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

C8H12F3N5 — CID 118136392

IUPACN,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESCN(C)C1CNCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C8H12F3N5/c1-15(2)6-4-12-3-5-13-14-7(16(5)6)8(9,10)11/h6,12H,3-4H2,1-2H3
InChIKeyCAOGFPDPMODHGK-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.46
Rot. Bonds1

About N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (PubChem CID 118136392) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
PubChem CID118136392
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESCN(C)C1CNCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C8H12F3N5/c1-15(2)6-4-12-3-5-13-14-7(16(5)6)8(9,10)11/h6,12H,3-4H2,1-2H3
InChIKeyCAOGFPDPMODHGK-UHFFFAOYSA-N
XLogP0.46
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine 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 N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (CID 118136392) is N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is CN(C)C1CNCc2nnc(C(F)(F)F)n21.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The InChIKey is CAOGFPDPMODHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c1-15(2)6-4-12-3-5-13-14-7(16(5)6)8(9,10)11/h6,12H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine has a molecular weight of 235.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is sourced from PubChem (CID 118136392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).