4-ethyl-3-methylsulfanyl-1,2,4-triazole

C5H9N3S — CID 39969095

IUPAC4-ethyl-3-methylsulfanyl-1,2,4-triazole
SMILESCCn1cnnc1SC
InChIInChI=1S/C5H9N3S/c1-3-8-4-6-7-5(8)9-2/h4H,3H2,1-2H3
InChIKeyQRSKKFWPSWXQBI-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.02
Rot. Bonds2

About 4-ethyl-3-methylsulfanyl-1,2,4-triazole

4-ethyl-3-methylsulfanyl-1,2,4-triazole (PubChem CID 39969095) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-ethyl-3-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-methylsulfanyl-1,2,4-triazole
PubChem CID39969095
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name4-ethyl-3-methylsulfanyl-1,2,4-triazole
SMILESCCn1cnnc1SC
InChIInChI=1S/C5H9N3S/c1-3-8-4-6-7-5(8)9-2/h4H,3H2,1-2H3
InChIKeyQRSKKFWPSWXQBI-UHFFFAOYSA-N
XLogP1.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-methylsulfanyl-1,2,4-triazole (CID 39969095) is 4-ethyl-3-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-methylsulfanyl-1,2,4-triazole is CCn1cnnc1SC.
What is the InChIKey of 4-ethyl-3-methylsulfanyl-1,2,4-triazole?
The InChIKey is QRSKKFWPSWXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-8-4-6-7-5(8)9-2/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methylsulfanyl-1,2,4-triazole?
4-ethyl-3-methylsulfanyl-1,2,4-triazole has a molecular weight of 143.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 39969095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).