5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione

C8H8N4OS — CID 135755571

IUPAC5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESNc1ccc(-c2nc(=S)[nH][nH]2)c(O)c1
InChIInChI=1S/C8H8N4OS/c9-4-1-2-5(6(13)3-4)7-10-8(14)12-11-7/h1-3,13H,9H2,(H2,10,11,12,14)
InChIKeyCHYXLBDFWMCOCK-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.42
Rot. Bonds1

About 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 135755571) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID135755571
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESNc1ccc(-c2nc(=S)[nH][nH]2)c(O)c1
InChIInChI=1S/C8H8N4OS/c9-4-1-2-5(6(13)3-4)7-10-8(14)12-11-7/h1-3,13H,9H2,(H2,10,11,12,14)
InChIKeyCHYXLBDFWMCOCK-UHFFFAOYSA-N
XLogP1.42
TPSA90.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 135755571) is 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione is Nc1ccc(-c2nc(=S)[nH][nH]2)c(O)c1.
What is the InChIKey of 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is CHYXLBDFWMCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-4-1-2-5(6(13)3-4)7-10-8(14)12-11-7/h1-3,13H,9H2,(H2,10,11,12,14).
What are the key properties of 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 208.25 g/mol, XLogP of 1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 135755571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).