5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole

C4H8FN3S — CID 140984586

IUPAC5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole
SMILESFCCSC1=NCNN1
InChIInChI=1S/C4H8FN3S/c5-1-2-9-4-6-3-7-8-4/h7H,1-3H2,(H,6,8)
InChIKeyZKHQQOPQELCPHN-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.11
Rot. Bonds2

About 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole

5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole (PubChem CID 140984586) has the molecular formula C4H8FN3S and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole
PubChem CID140984586
Molecular FormulaC4H8FN3S
Molecular Weight149.19 g/mol
Exact Mass149.04
IUPAC Name5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole
SMILESFCCSC1=NCNN1
InChIInChI=1S/C4H8FN3S/c5-1-2-9-4-6-3-7-8-4/h7H,1-3H2,(H,6,8)
InChIKeyZKHQQOPQELCPHN-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole?
The IUPAC name of 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole (CID 140984586) is 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole is FCCSC1=NCNN1.
What is the InChIKey of 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole?
The InChIKey is ZKHQQOPQELCPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3S/c5-1-2-9-4-6-3-7-8-4/h7H,1-3H2,(H,6,8).
What are the key properties of 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole?
5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole has a molecular weight of 149.19 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylsulfanyl)-2,3-dihydro-1H-1,2,4-triazole is sourced from PubChem (CID 140984586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).