2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol

C6H11N3OS — CID 130503293

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCC(CO)Sc1ncnn1C
InChIInChI=1S/C6H11N3OS/c1-5(3-10)11-6-7-4-8-9(6)2/h4-5,10H,3H2,1-2H3
InChIKeyJMOCCZLZBCJLHN-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.29
Rot. Bonds3

About 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (PubChem CID 130503293) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
PubChem CID130503293
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCC(CO)Sc1ncnn1C
InChIInChI=1S/C6H11N3OS/c1-5(3-10)11-6-7-4-8-9(6)2/h4-5,10H,3H2,1-2H3
InChIKeyJMOCCZLZBCJLHN-UHFFFAOYSA-N
XLogP0.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (CID 130503293) is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is CC(CO)Sc1ncnn1C.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The InChIKey is JMOCCZLZBCJLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-5(3-10)11-6-7-4-8-9(6)2/h4-5,10H,3H2,1-2H3.
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 130503293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).