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

C5H8F2N4S — CID 61469062

IUPAC5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCC(F)F
InChIInChI=1S/C5H8F2N4S/c1-11-4(8)9-10-5(11)12-2-3(6)7/h3H,2H2,1H3,(H2,8,9)
InChIKeyRNKKLXVCIOERSW-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.75
Rot. Bonds3

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

5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine (PubChem CID 61469062) has the molecular formula C5H8F2N4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
PubChem CID61469062
Molecular FormulaC5H8F2N4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCC(F)F
InChIInChI=1S/C5H8F2N4S/c1-11-4(8)9-10-5(11)12-2-3(6)7/h3H,2H2,1H3,(H2,8,9)
InChIKeyRNKKLXVCIOERSW-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine (CID 61469062) is 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is RNKKLXVCIOERSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4S/c1-11-4(8)9-10-5(11)12-2-3(6)7/h3H,2H2,1H3,(H2,8,9).
What are the key properties of 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine?
5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 194.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylsulfanyl)-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 61469062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).