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

C5H14N4S — CID 59076309

IUPAC5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol
SMILESCCN1C(S)NN(C)C1N
InChIInChI=1S/C5H14N4S/c1-3-9-4(6)8(2)7-5(9)10/h4-5,7,10H,3,6H2,1-2H3
InChIKeyGNSQBXNYSCXNGI-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.79
Rot. Bonds1

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

5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol (PubChem CID 59076309) has the molecular formula C5H14N4S and a molecular weight of 162.26 g/mol. Its IUPAC name is 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol.

Molecular Properties

Compound Name5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol
PubChem CID59076309
Molecular FormulaC5H14N4S
Molecular Weight162.26 g/mol
Exact Mass162.09
IUPAC Name5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol
SMILESCCN1C(S)NN(C)C1N
InChIInChI=1S/C5H14N4S/c1-3-9-4(6)8(2)7-5(9)10/h4-5,7,10H,3,6H2,1-2H3
InChIKeyGNSQBXNYSCXNGI-UHFFFAOYSA-N
XLogP-0.79
TPSA44.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', '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-thiol?
The IUPAC name of 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol (CID 59076309) is 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol.
What is the SMILES notation for 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol?
The canonical SMILES for 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol is CCN1C(S)NN(C)C1N.
What is the InChIKey of 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol?
The InChIKey is GNSQBXNYSCXNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S/c1-3-9-4(6)8(2)7-5(9)10/h4-5,7,10H,3,6H2,1-2H3.
What are the key properties of 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol?
5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol has a molecular weight of 162.26 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-ethyl-1-methyl-1,2,4-triazolidine-3-thiol is sourced from PubChem (CID 59076309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).