5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione

C4H9N5S — CID 90063962

IUPAC5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCN(N)c1nc(=S)[nH][nH]1
InChIInChI=1S/C4H9N5S/c1-2-9(5)3-6-4(10)8-7-3/h2,5H2,1H3,(H2,6,7,8,10)
InChIKeyBQLYULLJZXQXMO-UHFFFAOYSA-N
MW159.22 g/mol
LogP0.17
Rot. Bonds2

About 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione

5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 90063962) has the molecular formula C4H9N5S and a molecular weight of 159.22 g/mol. Its IUPAC name is 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID90063962
Molecular FormulaC4H9N5S
Molecular Weight159.22 g/mol
Exact Mass159.06
IUPAC Name5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCN(N)c1nc(=S)[nH][nH]1
InChIInChI=1S/C4H9N5S/c1-2-9(5)3-6-4(10)8-7-3/h2,5H2,1H3,(H2,6,7,8,10)
InChIKeyBQLYULLJZXQXMO-UHFFFAOYSA-N
XLogP0.17
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.22
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione (CID 90063962) is 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione is CCN(N)c1nc(=S)[nH][nH]1.
What is the InChIKey of 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is BQLYULLJZXQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5S/c1-2-9(5)3-6-4(10)8-7-3/h2,5H2,1H3,(H2,6,7,8,10).
What are the key properties of 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 159.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(ethyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 90063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).