2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione

C5H5F3N4S — CID 83240999

IUPAC2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C5H5F3N4S/c6-5(7,8)1-2-10-3(9)12-4(13)11-2/h1H2,(H3,9,10,11,12,13)
InChIKeyGDYSWRZWDWRICR-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.22
Rot. Bonds1

About 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione (PubChem CID 83240999) has the molecular formula C5H5F3N4S and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione
PubChem CID83240999
Molecular FormulaC5H5F3N4S
Molecular Weight210.18 g/mol
Exact Mass210.02
IUPAC Name2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C5H5F3N4S/c6-5(7,8)1-2-10-3(9)12-4(13)11-2/h1H2,(H3,9,10,11,12,13)
InChIKeyGDYSWRZWDWRICR-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione 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-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione (CID 83240999) is 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(CC(F)(F)F)[nH]1.
What is the InChIKey of 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is GDYSWRZWDWRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4S/c6-5(7,8)1-2-10-3(9)12-4(13)11-2/h1H2,(H3,9,10,11,12,13).
What are the key properties of 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 210.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,2,2-trifluoroethyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83240999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).