3-amino-4-ethyl-1H-1,2,4-triazole-5-thione

C4H8N4S — CID 7175984

IUPAC3-amino-4-ethyl-1H-1,2,4-triazole-5-thione
SMILESCCn1c(N)n[nH]c1=S
InChIInChI=1S/C4H8N4S/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9)
InChIKeyTUBVLGUNZZJXER-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.54
Rot. Bonds1

About 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione

3-amino-4-ethyl-1H-1,2,4-triazole-5-thione (PubChem CID 7175984) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-amino-4-ethyl-1H-1,2,4-triazole-5-thione
PubChem CID7175984
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name3-amino-4-ethyl-1H-1,2,4-triazole-5-thione
SMILESCCn1c(N)n[nH]c1=S
InChIInChI=1S/C4H8N4S/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9)
InChIKeyTUBVLGUNZZJXER-UHFFFAOYSA-N
XLogP0.54
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione (CID 7175984) is 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione is CCn1c(N)n[nH]c1=S.
What is the InChIKey of 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione?
The InChIKey is TUBVLGUNZZJXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-2-8-3(5)6-7-4(8)9/h2H2,1H3,(H2,5,6)(H,7,9).
What are the key properties of 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione?
3-amino-4-ethyl-1H-1,2,4-triazole-5-thione has a molecular weight of 144.20 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 7175984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).