5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine

C7H13FN4S — CID 80694899

IUPAC5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCCF
InChIInChI=1S/C7H13FN4S/c1-5(2)12-6(9)10-11-7(12)13-4-3-8/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyQZUZUVDWGQWFPW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.50
Rot. Bonds4

About 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine

5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 80694899) has the molecular formula C7H13FN4S and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID80694899
Molecular FormulaC7H13FN4S
Molecular Weight204.27 g/mol
Exact Mass204.08
IUPAC Name5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCCF
InChIInChI=1S/C7H13FN4S/c1-5(2)12-6(9)10-11-7(12)13-4-3-8/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyQZUZUVDWGQWFPW-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine (CID 80694899) is 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1c(N)nnc1SCCF.
What is the InChIKey of 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is QZUZUVDWGQWFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4S/c1-5(2)12-6(9)10-11-7(12)13-4-3-8/h5H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine?
5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 204.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 80694899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).