2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole

C10H10F3N5S — CID 140912410

IUPAC2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CNCc2nnc(-c3nc(C(F)(F)F)cs3)n21
InChIInChI=1S/C10H10F3N5S/c1-5-2-14-3-7-16-17-8(18(5)7)9-15-6(4-19-9)10(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeyRDVLIRRALLMISV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.08
Rot. Bonds1

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

2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 140912410) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID140912410
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Name2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CNCc2nnc(-c3nc(C(F)(F)F)cs3)n21
InChIInChI=1S/C10H10F3N5S/c1-5-2-14-3-7-16-17-8(18(5)7)9-15-6(4-19-9)10(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeyRDVLIRRALLMISV-UHFFFAOYSA-N
XLogP2.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(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

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 140912410) is 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole is CC1CNCc2nnc(-c3nc(C(F)(F)F)cs3)n21.
What is the InChIKey of 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RDVLIRRALLMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c1-5-2-14-3-7-16-17-8(18(5)7)9-15-6(4-19-9)10(11,12)13/h4-5,14H,2-3H2,1H3.
What are the key properties of 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 289.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 140912410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).