N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine

C7H11F3N4S — CID 116617504

IUPACN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCSC(F)(F)F)nn1
InChIInChI=1S/C7H11F3N4S/c1-11-4-6-5-14(13-12-6)2-3-15-7(8,9)10/h5,11H,2-4H2,1H3
InChIKeySDQVFOQKMNIJEZ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.25
Rot. Bonds5

About N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine (PubChem CID 116617504) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine
PubChem CID116617504
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC NameN-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCSC(F)(F)F)nn1
InChIInChI=1S/C7H11F3N4S/c1-11-4-6-5-14(13-12-6)2-3-15-7(8,9)10/h5,11H,2-4H2,1H3
InChIKeySDQVFOQKMNIJEZ-UHFFFAOYSA-N
XLogP1.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine (CID 116617504) is N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine is CNCc1cn(CCSC(F)(F)F)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine?
The InChIKey is SDQVFOQKMNIJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-11-4-6-5-14(13-12-6)2-3-15-7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine has a molecular weight of 240.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 116617504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).