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

C10H15F3N4S — CID 155467099

IUPAC7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCSC(C)(C)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H15F3N4S/c1-9(2,18-3)16-4-5-17-7(6-16)14-15-8(17)10(11,12)13/h4-6H2,1-3H3
InChIKeyBPVNVROZMRZFCT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds2

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

7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 155467099) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID155467099
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCSC(C)(C)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H15F3N4S/c1-9(2,18-3)16-4-5-17-7(6-16)14-15-8(17)10(11,12)13/h4-6H2,1-3H3
InChIKeyBPVNVROZMRZFCT-UHFFFAOYSA-N
XLogP2.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Trifluoromethyl)-7-methyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
CID 45097024
7-propan-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 57531006
7-tert-butyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 57777184
7-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58157198
7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58315203
7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 59856280
7-butyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 67978377
7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70937970
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 70938173
3-(1,1-difluoroethyl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 89595782
7-(2,2-dimethylpropyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 90140992
8-ethyl-5,6,7-trimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 90978657

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 155467099) is 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CSC(C)(C)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BPVNVROZMRZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-9(2,18-3)16-4-5-17-7(6-16)14-15-8(17)10(11,12)13/h4-6H2,1-3H3.
What are the key properties of 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 280.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylsulfanylpropan-2-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 155467099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).