5-amino-4-ethyl-1,2,4-triazolidine-3-thione

C4H10N4S — CID 163488006

IUPAC5-amino-4-ethyl-1,2,4-triazolidine-3-thione
SMILESCCN1C(=S)NNC1N
InChIInChI=1S/C4H10N4S/c1-2-8-3(5)6-7-4(8)9/h3,6H,2,5H2,1H3,(H,7,9)
InChIKeyCKFDQXBJALEARL-UHFFFAOYSA-N
MW146.22 g/mol
LogP-1.06
Rot. Bonds1

About 5-amino-4-ethyl-1,2,4-triazolidine-3-thione

5-amino-4-ethyl-1,2,4-triazolidine-3-thione (PubChem CID 163488006) has the molecular formula C4H10N4S and a molecular weight of 146.22 g/mol. Its IUPAC name is 5-amino-4-ethyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name5-amino-4-ethyl-1,2,4-triazolidine-3-thione
PubChem CID163488006
Molecular FormulaC4H10N4S
Molecular Weight146.22 g/mol
Exact Mass146.06
IUPAC Name5-amino-4-ethyl-1,2,4-triazolidine-3-thione
SMILESCCN1C(=S)NNC1N
InChIInChI=1S/C4H10N4S/c1-2-8-3(5)6-7-4(8)9/h3,6H,2,5H2,1H3,(H,7,9)
InChIKeyCKFDQXBJALEARL-UHFFFAOYSA-N
XLogP-1.06
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-ethyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 5-amino-4-ethyl-1,2,4-triazolidine-3-thione (CID 163488006) is 5-amino-4-ethyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 5-amino-4-ethyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 5-amino-4-ethyl-1,2,4-triazolidine-3-thione is CCN1C(=S)NNC1N.
What is the InChIKey of 5-amino-4-ethyl-1,2,4-triazolidine-3-thione?
The InChIKey is CKFDQXBJALEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4S/c1-2-8-3(5)6-7-4(8)9/h3,6H,2,5H2,1H3,(H,7,9).
What are the key properties of 5-amino-4-ethyl-1,2,4-triazolidine-3-thione?
5-amino-4-ethyl-1,2,4-triazolidine-3-thione has a molecular weight of 146.22 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 163488006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).