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

C8H8N4OS — CID 4091564

IUPAC4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2ccccc2O)n[nH]c1=S
InChIInChI=1S/C8H8N4OS/c9-12-7(10-11-8(12)14)5-3-1-2-4-6(5)13/h1-4,13H,9H2,(H,11,14)
InChIKeyRLASDFPRYXTROZ-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.03
Rot. Bonds1

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

4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione (PubChem CID 4091564) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
PubChem CID4091564
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2ccccc2O)n[nH]c1=S
InChIInChI=1S/C8H8N4OS/c9-12-7(10-11-8(12)14)5-3-1-2-4-6(5)13/h1-4,13H,9H2,(H,11,14)
InChIKeyRLASDFPRYXTROZ-UHFFFAOYSA-N
XLogP1.03
TPSA79.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione (CID 4091564) is 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione is Nn1c(-c2ccccc2O)n[nH]c1=S.
What is the InChIKey of 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
The InChIKey is RLASDFPRYXTROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-12-7(10-11-8(12)14)5-3-1-2-4-6(5)13/h1-4,13H,9H2,(H,11,14).
What are the key properties of 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione?
4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione has a molecular weight of 208.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 4091564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).