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

C5H8F2N4S — CID 7017449

IUPAC3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C(F)F)n1N
InChIInChI=1S/C5H8F2N4S/c1-2-12-5-10-9-4(3(6)7)11(5)8/h3H,2,8H2,1H3
InChIKeyDFKHPFQZSYBRFJ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.04
Rot. Bonds3

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

3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine (PubChem CID 7017449) has the molecular formula C5H8F2N4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
PubChem CID7017449
Molecular FormulaC5H8F2N4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine
SMILESCCSc1nnc(C(F)F)n1N
InChIInChI=1S/C5H8F2N4S/c1-2-12-5-10-9-4(3(6)7)11(5)8/h3H,2,8H2,1H3
InChIKeyDFKHPFQZSYBRFJ-UHFFFAOYSA-N
XLogP1.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine (CID 7017449) is 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine is CCSc1nnc(C(F)F)n1N.
What is the InChIKey of 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
The InChIKey is DFKHPFQZSYBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4S/c1-2-12-5-10-9-4(3(6)7)11(5)8/h3H,2,8H2,1H3.
What are the key properties of 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine?
3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine has a molecular weight of 194.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 7017449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).