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

C6H7F3N4S — CID 83240429

IUPAC2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N4S/c7-6(8,9)2-1-3-11-4(10)13-5(14)12-3/h1-2H2,(H3,10,11,12,13,14)
InChIKeyUTOKSYOUGDCJGN-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.61
Rot. Bonds2

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

2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione (PubChem CID 83240429) has the molecular formula C6H7F3N4S and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione
PubChem CID83240429
Molecular FormulaC6H7F3N4S
Molecular Weight224.21 g/mol
Exact Mass224.03
IUPAC Name2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(CCC(F)(F)F)[nH]1
InChIInChI=1S/C6H7F3N4S/c7-6(8,9)2-1-3-11-4(10)13-5(14)12-3/h1-2H2,(H3,10,11,12,13,14)
InChIKeyUTOKSYOUGDCJGN-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione (CID 83240429) is 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(CCC(F)(F)F)[nH]1.
What is the InChIKey of 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is UTOKSYOUGDCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4S/c7-6(8,9)2-1-3-11-4(10)13-5(14)12-3/h1-2H2,(H3,10,11,12,13,14).
What are the key properties of 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 224.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,3,3-trifluoropropyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83240429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).