4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine

C5H7F3N4S — CID 61468168

IUPAC4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCC(F)(F)F
InChIInChI=1S/C5H7F3N4S/c1-12-3(9)10-11-4(12)13-2-5(6,7)8/h2H2,1H3,(H2,9,10)
InChIKeyKORNLOKRAOGVMF-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.05
Rot. Bonds2

About 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine

4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine (PubChem CID 61468168) has the molecular formula C5H7F3N4S and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine
PubChem CID61468168
Molecular FormulaC5H7F3N4S
Molecular Weight212.20 g/mol
Exact Mass212.03
IUPAC Name4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCC(F)(F)F
InChIInChI=1S/C5H7F3N4S/c1-12-3(9)10-11-4(12)13-2-5(6,7)8/h2H2,1H3,(H2,9,10)
InChIKeyKORNLOKRAOGVMF-UHFFFAOYSA-N
XLogP1.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine 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 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine (CID 61468168) is 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCC(F)(F)F.
What is the InChIKey of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine?
The InChIKey is KORNLOKRAOGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4S/c1-12-3(9)10-11-4(12)13-2-5(6,7)8/h2H2,1H3,(H2,9,10).
What are the key properties of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine?
4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine has a molecular weight of 212.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 61468168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).