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

C11H11ClF3N5S — CID 64580750

IUPAC4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2n1CCN(Cc1nc(CCl)cs1)C2
InChIInChI=1S/C11H11ClF3N5S/c12-3-7-6-21-9(16-7)5-19-1-2-20-8(4-19)17-18-10(20)11(13,14)15/h6H,1-5H2
InChIKeyMRLUUSQAPFENSX-UHFFFAOYSA-N
MW337.76 g/mol
LogP2.51
Rot. Bonds3

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

4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 64580750) has the molecular formula C11H11ClF3N5S and a molecular weight of 337.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID64580750
Molecular FormulaC11H11ClF3N5S
Molecular Weight337.76 g/mol
Exact Mass337.04
IUPAC Name4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2n1CCN(Cc1nc(CCl)cs1)C2
InChIInChI=1S/C11H11ClF3N5S/c12-3-7-6-21-9(16-7)5-19-1-2-20-8(4-19)17-18-10(20)11(13,14)15/h6H,1-5H2
InChIKeyMRLUUSQAPFENSX-UHFFFAOYSA-N
XLogP2.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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

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
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
N-methyl-1-[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578315
[2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazol-4-yl]methanamine
CID 64578316
4-(chloromethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole
CID 64579598
2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 131963099
2-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133505588
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
4-Methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 89493174
(8R)-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-amine
CID 89493228

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 64580750) is 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole is FC(F)(F)c1nnc2n1CCN(Cc1nc(CCl)cs1)C2.
What is the InChIKey of 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is MRLUUSQAPFENSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5S/c12-3-7-6-21-9(16-7)5-19-1-2-20-8(4-19)17-18-10(20)11(13,14)15/h6H,1-5H2.
What are the key properties of 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 337.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 64580750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).