1-ethyl-5-ethylsulfanyltriazole

C6H11N3S — CID 12502188

IUPAC1-ethyl-5-ethylsulfanyltriazole
SMILESCCSc1cnnn1CC
InChIInChI=1S/C6H11N3S/c1-3-9-6(10-4-2)5-7-8-9/h5H,3-4H2,1-2H3
InChIKeyGPYFZOHRBGTPGN-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.41
Rot. Bonds3

About 1-ethyl-5-ethylsulfanyltriazole

1-ethyl-5-ethylsulfanyltriazole (PubChem CID 12502188) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-ethyl-5-ethylsulfanyltriazole.

Molecular Properties

Compound Name1-ethyl-5-ethylsulfanyltriazole
PubChem CID12502188
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name1-ethyl-5-ethylsulfanyltriazole
SMILESCCSc1cnnn1CC
InChIInChI=1S/C6H11N3S/c1-3-9-6(10-4-2)5-7-8-9/h5H,3-4H2,1-2H3
InChIKeyGPYFZOHRBGTPGN-UHFFFAOYSA-N
XLogP1.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-ethylsulfanyltriazole?
The IUPAC name of 1-ethyl-5-ethylsulfanyltriazole (CID 12502188) is 1-ethyl-5-ethylsulfanyltriazole.
What is the SMILES notation for 1-ethyl-5-ethylsulfanyltriazole?
The canonical SMILES for 1-ethyl-5-ethylsulfanyltriazole is CCSc1cnnn1CC.
What is the InChIKey of 1-ethyl-5-ethylsulfanyltriazole?
The InChIKey is GPYFZOHRBGTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-9-6(10-4-2)5-7-8-9/h5H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-5-ethylsulfanyltriazole?
1-ethyl-5-ethylsulfanyltriazole has a molecular weight of 157.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-ethylsulfanyltriazole is sourced from PubChem (CID 12502188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).