4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H6F3N5S — CID 89488462

IUPAC4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2nnc3n2CCN=C3)cs1
InChIInChI=1S/C9H6F3N5S/c10-9(11,12)8-14-5(4-18-8)7-16-15-6-3-13-1-2-17(6)7/h3-4H,1-2H2
InChIKeyFZXIEOBVQCSSGT-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.85
Rot. Bonds1

About 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 89488462) has the molecular formula C9H6F3N5S and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID89488462
Molecular FormulaC9H6F3N5S
Molecular Weight273.24 g/mol
Exact Mass273.03
IUPAC Name4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2nnc3n2CCN=C3)cs1
InChIInChI=1S/C9H6F3N5S/c10-9(11,12)8-14-5(4-18-8)7-16-15-6-3-13-1-2-17(6)7/h3-4H,1-2H2
InChIKeyFZXIEOBVQCSSGT-UHFFFAOYSA-N
XLogP1.85
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole 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

4-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-1,3-thiazol-2-amine
CID 131897809
4-(5,6-Dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 89488460
4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)thiazole hydrochloride
CID 89488476
4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 89488477
8-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbaldehyde
CID 122587775
4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-amine
CID 64576502
[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 64577896
5-methyl-1-{2-[3-(2-methyl-1,3-thiazol-4-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-tetrazole
CID 72876991
2-Methyl-4-[5-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 72920216
4-[1-Cyclobutyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 155966223
2-cyclopropyl-4-{[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl}-1,3-thiazole
CID 165431464
2-methyl-4-{[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl}-1,3-thiazole
CID 165431486

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 89488462) is 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-c2nnc3n2CCN=C3)cs1.
What is the InChIKey of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is FZXIEOBVQCSSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5S/c10-9(11,12)8-14-5(4-18-8)7-16-15-6-3-13-1-2-17(6)7/h3-4H,1-2H2.
What are the key properties of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 273.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 89488462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).