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

C4H8N4S — CID 154101043

IUPAC4-amino-3-ethyl-3H-1,2,4-triazole-5-thione
SMILESCCC1N=NC(=S)N1N
InChIInChI=1S/C4H8N4S/c1-2-3-6-7-4(9)8(3)5/h3H,2,5H2,1H3
InChIKeyBVEZPBLXHUFLEE-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.65
Rot. Bonds1

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

4-amino-3-ethyl-3H-1,2,4-triazole-5-thione (PubChem CID 154101043) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-ethyl-3H-1,2,4-triazole-5-thione
PubChem CID154101043
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name4-amino-3-ethyl-3H-1,2,4-triazole-5-thione
SMILESCCC1N=NC(=S)N1N
InChIInChI=1S/C4H8N4S/c1-2-3-6-7-4(9)8(3)5/h3H,2,5H2,1H3
InChIKeyBVEZPBLXHUFLEE-UHFFFAOYSA-N
XLogP0.65
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1-(2-methylpropyl)-2,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
CID 8902202
1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione
CID 3034248
1,2-Dihydro-1-(1-methylethyl)-5H-tetrazole-5-thione
CID 7131396
1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-Butyl-5-mercaptotetrazole
CID 10931710
Iodobutyl-sulfanyltetrazole
CID 132427253
1-(4-fluorobutyl)-2H-tetrazole-5-thione
CID 130592980
1-(4,4-difluorobutan-2-yl)-2H-tetrazole-5-thione
CID 130677773
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
1-(3-aminopropyl)-2H-tetrazole-5-thione
CID 15333026
1-Hexyl-1,2-dihydro-5H-tetrazole-5-thione
CID 15765993

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione (CID 154101043) is 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione is CCC1N=NC(=S)N1N.
What is the InChIKey of 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione?
The InChIKey is BVEZPBLXHUFLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-2-3-6-7-4(9)8(3)5/h3H,2,5H2,1H3.
What are the key properties of 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione?
4-amino-3-ethyl-3H-1,2,4-triazole-5-thione has a molecular weight of 144.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-3H-1,2,4-triazole-5-thione is sourced from PubChem (CID 154101043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).