4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate

C4H11N4S- — CID 23394792

IUPAC4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate
SMILESCCN1CN(N)C([S-])N1
InChIInChI=1S/C4H12N4S/c1-2-7-3-8(5)4(9)6-7/h4,6,9H,2-3,5H2,1H3/p-1
InChIKeyHMOHWZYNUMANCR-UHFFFAOYSA-M
MW147.23 g/mol
LogP-1.21
Rot. Bonds1

About 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate

4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate (PubChem CID 23394792) has the molecular formula C4H11N4S- and a molecular weight of 147.23 g/mol. Its IUPAC name is 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate.

Molecular Properties

Compound Name4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate
PubChem CID23394792
Molecular FormulaC4H11N4S-
Molecular Weight147.23 g/mol
Exact Mass147.07
IUPAC Name4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate
SMILESCCN1CN(N)C([S-])N1
InChIInChI=1S/C4H12N4S/c1-2-7-3-8(5)4(9)6-7/h4,6,9H,2-3,5H2,1H3/p-1
InChIKeyHMOHWZYNUMANCR-UHFFFAOYSA-M
XLogP-1.21
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.23
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate?
The IUPAC name of 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate (CID 23394792) is 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate.
What is the SMILES notation for 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate?
The canonical SMILES for 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate is CCN1CN(N)C([S-])N1.
What is the InChIKey of 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate?
The InChIKey is HMOHWZYNUMANCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N4S/c1-2-7-3-8(5)4(9)6-7/h4,6,9H,2-3,5H2,1H3/p-1.
What are the key properties of 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate?
4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate has a molecular weight of 147.23 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-1,2,4-triazolidine-3-thiolate is sourced from PubChem (CID 23394792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).