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

C11H11Cl2N3OS — CID 155461391

IUPAC2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol
SMILESCSc1nnc(CCO)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3OS/c1-18-11-15-14-10(4-5-17)16(11)9-3-2-7(12)6-8(9)13/h2-3,6,17H,4-5H2,1H3
InChIKeyHDVGCISUSAZPKT-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.83
Rot. Bonds4

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

2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol (PubChem CID 155461391) has the molecular formula C11H11Cl2N3OS and a molecular weight of 304.20 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol
PubChem CID155461391
Molecular FormulaC11H11Cl2N3OS
Molecular Weight304.20 g/mol
Exact Mass303.00
IUPAC Name2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol
SMILESCSc1nnc(CCO)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3OS/c1-18-11-15-14-10(4-5-17)16(11)9-3-2-7(12)6-8(9)13/h2-3,6,17H,4-5H2,1H3
InChIKeyHDVGCISUSAZPKT-UHFFFAOYSA-N
XLogP2.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol (CID 155461391) is 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol is CSc1nnc(CCO)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol?
The InChIKey is HDVGCISUSAZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3OS/c1-18-11-15-14-10(4-5-17)16(11)9-3-2-7(12)6-8(9)13/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol?
2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol has a molecular weight of 304.20 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 155461391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).