4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol

C10H11N3OS — CID 649850

IUPAC4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol
SMILESCSc1nnc(-c2ccc(O)cc2)n1C
InChIInChI=1S/C10H11N3OS/c1-13-9(11-12-10(13)15-2)7-3-5-8(14)6-4-7/h3-6,14H,1-2H3
InChIKeyHCVIFQKNRBHTAC-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.91
Rot. Bonds2

About 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol

4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol (PubChem CID 649850) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol
PubChem CID649850
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol
SMILESCSc1nnc(-c2ccc(O)cc2)n1C
InChIInChI=1S/C10H11N3OS/c1-13-9(11-12-10(13)15-2)7-3-5-8(14)6-4-7/h3-6,14H,1-2H3
InChIKeyHCVIFQKNRBHTAC-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol 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

4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-
CID 647629
2-(5,6-Dihydro-6-methylthiazolo(2,3-c)-1,2,4-triazol-3-yl)phenol
CID 355466
4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
CID 2768020
4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 865786
Methyl 2-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-YL]phenyl ether
CID 1435196
4-(4H-1,2,4-triazol-3-yl)phenol
CID 135636849
3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
CID 651108
[5-(2-Hydroxy-phenyl)-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 653578
2-((5-(4-methoxyphenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
CID 726825
3-(6,6-Dimethyl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)phenol
CID 664953
[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
CID 649373
2-[5-(4-Hydroxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone
CID 865794

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol (CID 649850) is 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol is CSc1nnc(-c2ccc(O)cc2)n1C.
What is the InChIKey of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is HCVIFQKNRBHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-13-9(11-12-10(13)15-2)7-3-5-8(14)6-4-7/h3-6,14H,1-2H3.
What are the key properties of 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol?
4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 221.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 649850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).