(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol

C12H15N3OS — CID 71521542

IUPAC(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)Sc1nnc(CO)n1-c1ccccc1
InChIInChI=1S/C12H15N3OS/c1-9(2)17-12-14-13-11(8-16)15(12)10-6-4-3-5-7-10/h3-7,9,16H,8H2,1-2H3
InChIKeyLOYVTNQEJSNOKU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.26
Rot. Bonds4

About (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol

(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol (PubChem CID 71521542) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol
PubChem CID71521542
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol
SMILESCC(C)Sc1nnc(CO)n1-c1ccccc1
InChIInChI=1S/C12H15N3OS/c1-9(2)17-12-14-13-11(8-16)15(12)10-6-4-3-5-7-10/h3-7,9,16H,8H2,1-2H3
InChIKeyLOYVTNQEJSNOKU-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol 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

3-[4-(2-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461369
3-[4-(3-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461370
3-[4-(3-Methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461374
[4-(2,4-Dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol
CID 155461390
[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
CID 977800
3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
CID 1473592
2-[(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile
CID 16196670
3-(allylsulfanyl)-5-(2,2-dimethoxyethyl)-4-phenyl-4H-1,2,4-triazole
CID 2768535
3-[4-(4-Chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461382
(4-phenyl-4H-1,2,4-triazol-3-yl)methanol
CID 15707894
3-((4,5-dihydroisoxazol-3-yl)methylthio)-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 44435871
3-Methyl-4-phenyl-5-(tetrahydro-furan-2-ylmethylsulfanyl)-4H-[1,2,4]triazole
CID 650900

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol (CID 71521542) is (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol is CC(C)Sc1nnc(CO)n1-c1ccccc1.
What is the InChIKey of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is LOYVTNQEJSNOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(2)17-12-14-13-11(8-16)15(12)10-6-4-3-5-7-10/h3-7,9,16H,8H2,1-2H3.
What are the key properties of (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol?
(4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 249.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 71521542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).