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

C6H11N3OS — CID 104588098

IUPAC3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCn1ncnc1SCCCO
InChIInChI=1S/C6H11N3OS/c1-9-6(7-5-8-9)11-4-2-3-10/h5,10H,2-4H2,1H3
InChIKeyZHSSNURPZWWDDM-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.29
Rot. Bonds4

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

3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (PubChem CID 104588098) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
PubChem CID104588098
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
SMILESCn1ncnc1SCCCO
InChIInChI=1S/C6H11N3OS/c1-9-6(7-5-8-9)11-4-2-3-10/h5,10H,2-4H2,1H3
InChIKeyZHSSNURPZWWDDM-UHFFFAOYSA-N
XLogP0.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromopropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602646
5-(5-chloropentylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602624
2-methyl-2-(methylamino)-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604816
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
CID 104604503
2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
CID 104604791
1-amino-2-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-2-ol
CID 104604840
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylbutan-1-amine
CID 104604049
3-(aminomethyl)-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]hexan-3-ol
CID 106811670
2-(cyclopropylamino)-2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 104604822
2,2-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanimidamide
CID 104603232
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanimidamide
CID 104603220
4-[3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzonitrile
CID 104588387

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol (CID 104588098) is 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is Cn1ncnc1SCCCO.
What is the InChIKey of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
The InChIKey is ZHSSNURPZWWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-9-6(7-5-8-9)11-4-2-3-10/h5,10H,2-4H2,1H3.
What are the key properties of 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol?
3-[(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, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 104588098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).