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

C5H11N5S — CID 90063608

IUPAC5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCCN(N)c1nc(=S)[nH][nH]1
InChIInChI=1S/C5H11N5S/c1-2-3-10(6)4-7-5(11)9-8-4/h2-3,6H2,1H3,(H2,7,8,9,11)
InChIKeyPXJRGYSUQMTMBZ-UHFFFAOYSA-N
MW173.25 g/mol
LogP0.56
Rot. Bonds3

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

5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 90063608) has the molecular formula C5H11N5S and a molecular weight of 173.25 g/mol. Its IUPAC name is 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID90063608
Molecular FormulaC5H11N5S
Molecular Weight173.25 g/mol
Exact Mass173.07
IUPAC Name5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione
SMILESCCCN(N)c1nc(=S)[nH][nH]1
InChIInChI=1S/C5H11N5S/c1-2-3-10(6)4-7-5(11)9-8-4/h2-3,6H2,1H3,(H2,7,8,9,11)
InChIKeyPXJRGYSUQMTMBZ-UHFFFAOYSA-N
XLogP0.56
TPSA73.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.25
LogP ≤ 50.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione (CID 90063608) is 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione is CCCN(N)c1nc(=S)[nH][nH]1.
What is the InChIKey of 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is PXJRGYSUQMTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-2-3-10(6)4-7-5(11)9-8-4/h2-3,6H2,1H3,(H2,7,8,9,11).
What are the key properties of 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione?
5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 173.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(propyl)amino]-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 90063608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).