5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine

C8H11F3N4S — CID 104923911

IUPAC5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCSC(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N4S/c1-5-6(2)14-15-7(13-5)12-3-4-16-8(9,10)11/h3-4H2,1-2H3,(H,12,13,15)
InChIKeyJEWPQGXYJOXMFU-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.15
Rot. Bonds4

About 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine

5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 104923911) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID104923911
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NCCSC(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N4S/c1-5-6(2)14-15-7(13-5)12-3-4-16-8(9,10)11/h3-4H2,1-2H3,(H,12,13,15)
InChIKeyJEWPQGXYJOXMFU-UHFFFAOYSA-N
XLogP2.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,5,6-trimethyl-1,2,4-triazin-3-amine
CID 13950669
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 104925409
5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
CID 106214727
5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294256
N'-(2,2-difluoroethyl)-N'-(5,6-dimethyl-1,2,4-triazin-3-yl)ethane-1,2-diamine
CID 107494007
5,6-dimethyl-N-(5,5,5-trifluoropentyl)-1,2,4-triazin-3-amine
CID 113586373
5,6-diethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
CID 113847535
N'-(5,6-dimethyl-1,2,4-triazin-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 113966340
5,6-dimethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
CID 114448666
5,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
CID 114448674
N-(2,2-difluoroethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448678
5,6-dimethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 114786536

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine (CID 104923911) is 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine is Cc1nnc(NCCSC(F)(F)F)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is JEWPQGXYJOXMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c1-5-6(2)14-15-7(13-5)12-3-4-16-8(9,10)11/h3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 252.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 104923911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).