3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine

C5H7F3N4S — CID 17024867

IUPAC3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C(F)(F)F)n1N
InChIInChI=1S/C5H7F3N4S/c1-2-13-4-11-10-3(12(4)9)5(6,7)8/h2,9H2,1H3
InChIKeyKXLLIQBVEKSPJV-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.12
Rot. Bonds2

About 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine

3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine (PubChem CID 17024867) has the molecular formula C5H7F3N4S and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
PubChem CID17024867
Molecular FormulaC5H7F3N4S
Molecular Weight212.20 g/mol
Exact Mass212.03
IUPAC Name3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C(F)(F)F)n1N
InChIInChI=1S/C5H7F3N4S/c1-2-13-4-11-10-3(12(4)9)5(6,7)8/h2,9H2,1H3
InChIKeyKXLLIQBVEKSPJV-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 339582
5-(Ethylthio)-3-(Trifluoromethyl)-1H-1,2,4-Triazole
CID 2743588
3-Methyl-5-(methylthio)-4h-1,2,4-triazol-4-amine
CID 4210849
3-ethyl-5-(ethylthio)-4H-1,2,4-triazol-4-amine
CID 7174100
2-[[4-Amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7845512
3-Ethylsulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 17868358
3-butylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 53443783
3-(Propylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 53443784
3-(2,2-dimethylpropylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 53637789
3-pentylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 54466918
3-(2-methylpropylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 54554046
5-methyl-3-(2,2,2-trifluoroethylsulfanyl)-1H-1,2,4-triazole
CID 130727631

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine (CID 17024867) is 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine is CCSc1nnc(C(F)(F)F)n1N.
What is the InChIKey of 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
The InChIKey is KXLLIQBVEKSPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4S/c1-2-13-4-11-10-3(12(4)9)5(6,7)8/h2,9H2,1H3.
What are the key properties of 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine?
3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine has a molecular weight of 212.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 17024867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).