[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol

C10H9Cl2N3OS — CID 155461390

IUPAC[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol
SMILESCSc1nnc(CO)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3OS/c1-17-10-14-13-9(5-16)15(10)8-3-2-6(11)4-7(8)12/h2-4,16H,5H2,1H3
InChIKeySLJNFNZLYXHRAH-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.79
Rot. Bonds3

About [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol

[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol (PubChem CID 155461390) has the molecular formula C10H9Cl2N3OS and a molecular weight of 290.18 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol
PubChem CID155461390
Molecular FormulaC10H9Cl2N3OS
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol
SMILESCSc1nnc(CO)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3OS/c1-17-10-14-13-9(5-16)15(10)8-3-2-6(11)4-7(8)12/h2-4,16H,5H2,1H3
InChIKeySLJNFNZLYXHRAH-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

Propanol, 3-[4-(2,4-dichlorophenyl)-5-methylthio-1,2,4-triazol-3-yl]-
CID 617291
4-(4-chlorophenyl)-3-(2,2-dimethoxyethyl)-5-(methylsulfanyl)-4H-1,2,4-triazole
CID 1473587
3-[5-Methylsulfanyl-4-(3,4,5-trichlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 155461358
3-[4-(2,4-Dichlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461364
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-(3,4-Dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461371
3-[5-Methylsulfanyl-4-(2,3,4-trichlorophenyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 155461372
5-[4-(2,4-Dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]pentan-1-ol
CID 155461378
4-(2,4-Dichlorophenyl)-3-methylsulfanyl-5-propyl-1,2,4-triazole
CID 155461379
3-[4-(2,3-Dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propan-1-ol
CID 155461383
2-[4-(2,4-Dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol
CID 155461391

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol (CID 155461390) is [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol is CSc1nnc(CO)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is SLJNFNZLYXHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3OS/c1-17-10-14-13-9(5-16)15(10)8-3-2-6(11)4-7(8)12/h2-4,16H,5H2,1H3.
What are the key properties of [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol?
[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 290.18 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 155461390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).