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

C5H11N3S — CID 15475917

IUPAC4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
SMILESCCN1CN(C)NC1=S
InChIInChI=1S/C5H11N3S/c1-3-8-4-7(2)6-5(8)9/h3-4H2,1-2H3,(H,6,9)
InChIKeyXNZCHSISUFGHGI-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.00
Rot. Bonds1

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

4-ethyl-1-methyl-1,2,4-triazolidine-3-thione (PubChem CID 15475917) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione.

Molecular Properties

Compound Name4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
PubChem CID15475917
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Name4-ethyl-1-methyl-1,2,4-triazolidine-3-thione
SMILESCCN1CN(C)NC1=S
InChIInChI=1S/C5H11N3S/c1-3-8-4-7(2)6-5(8)9/h3-4H2,1-2H3,(H,6,9)
InChIKeyXNZCHSISUFGHGI-UHFFFAOYSA-N
XLogP0.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4H-1,2,4-triazole-3,5-dithiol
CID 12421608
2,4,5,5-Tetramethyl-1,2,4-triazolidine-3-thione
CID 4997175
4-Butyl-1,2,4-triazolidine-3,5-dithione
CID 14566159
3-Amino-1-ethyl-1-methylthiourea
CID 15182084
1,4,5-Trimethyl-1,2,4-triazolidine-3-thione
CID 20615651
4-Ethyl-2,5,5-trimethyl-1,2,4-triazolidine-3-thione
CID 21762929
1-Ethyl-1,2,4-triazolidine-3,5-dithione
CID 23330707
1,4-Dimethyl-1,2,4-triazolidine-3-thione
CID 23394699
4-Ethyl-1-methyl-1,2,4-triazolidine-3-thiolate
CID 23394808
1,4,5-Trimethyl-1,2,4-triazolidin-1-ium-3-thione
CID 59117908
5-Amino-4-ethyl-1,2,4-triazolidine-3-thione
CID 163488006
2,5-Dimethyl-1,2,4-triazolidine-3-thione
CID 164040220

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
The IUPAC name of 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione (CID 15475917) is 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione.
What is the SMILES notation for 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
The canonical SMILES for 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione is CCN1CN(C)NC1=S.
What is the InChIKey of 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
The InChIKey is XNZCHSISUFGHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S/c1-3-8-4-7(2)6-5(8)9/h3-4H2,1-2H3,(H,6,9).
What are the key properties of 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione?
4-ethyl-1-methyl-1,2,4-triazolidine-3-thione has a molecular weight of 145.23 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-1,2,4-triazolidine-3-thione is sourced from PubChem (CID 15475917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).