5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione

C10H11N3O2S — CID 136674882

IUPAC5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione
SMILESCOc1ccc(O)c(-c2nc(=S)n(C)[nH]2)c1
InChIInChI=1S/C10H11N3O2S/c1-13-10(16)11-9(12-13)7-5-6(15-2)3-4-8(7)14/h3-5,14H,1-2H3,(H,11,12,16)
InChIKeySGSFHYUYFOPECJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.86
Rot. Bonds2

About 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione

5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione (PubChem CID 136674882) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione
PubChem CID136674882
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione
SMILESCOc1ccc(O)c(-c2nc(=S)n(C)[nH]2)c1
InChIInChI=1S/C10H11N3O2S/c1-13-10(16)11-9(12-13)7-5-6(15-2)3-4-8(7)14/h3-5,14H,1-2H3,(H,11,12,16)
InChIKeySGSFHYUYFOPECJ-UHFFFAOYSA-N
XLogP1.86
TPSA63.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-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

Related Compounds

2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
4-methoxy-2-(3-methyl-1-propyl-4H-imidazo[4,5-d]pyrazol-5-yl)phenol
CID 135884196
4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
CID 136926758
4-methoxy-2-(1-methylimidazol-2-yl)phenol
CID 136869285
4-methoxy-2-(9H-pyrido[2,3-b]indol-2-yl)phenol
CID 137276987
2-(2,4-diaminophenyl)-4-methoxyphenol
CID 22061985
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998006
2-[[5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 136674887

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione?
The IUPAC name of 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione (CID 136674882) is 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione is COc1ccc(O)c(-c2nc(=S)n(C)[nH]2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione?
The InChIKey is SGSFHYUYFOPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-13-10(16)11-9(12-13)7-5-6(15-2)3-4-8(7)14/h3-5,14H,1-2H3,(H,11,12,16).
What are the key properties of 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione?
5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione has a molecular weight of 237.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione is sourced from PubChem (CID 136674882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).