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

C5H12N4S — CID 21134847

IUPAC5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
SMILESCCN1C(=S)NN(C)C1N
InChIInChI=1S/C5H12N4S/c1-3-9-4(6)8(2)7-5(9)10/h4H,3,6H2,1-2H3,(H,7,10)
InChIKeyBVIAGFUQPGMAHS-UHFFFAOYSA-N
MW160.25 g/mol
LogP-0.71
Rot. Bonds1

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

5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione (PubChem CID 21134847) has the molecular formula C5H12N4S and a molecular weight of 160.25 g/mol. Its IUPAC name is 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
PubChem CID21134847
Molecular FormulaC5H12N4S
Molecular Weight160.25 g/mol
Exact Mass160.08
IUPAC Name5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
SMILESCCN1C(=S)NN(C)C1N
InChIInChI=1S/C5H12N4S/c1-3-9-4(6)8(2)7-5(9)10/h4H,3,6H2,1-2H3,(H,7,10)
InChIKeyBVIAGFUQPGMAHS-UHFFFAOYSA-N
XLogP-0.71
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
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-methyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione (CID 21134847) is 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione is CCN1C(=S)NN(C)C1N.
What is the InChIKey of 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
The InChIKey is BVIAGFUQPGMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4S/c1-3-9-4(6)8(2)7-5(9)10/h4H,3,6H2,1-2H3,(H,7,10).
What are the key properties of 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione has a molecular weight of 160.25 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 21134847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).