1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol

C15H12Cl2N4O — CID 53378325

IUPAC1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol
SMILESOC(Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N4O/c16-10-4-5-11(12(17)7-10)15(22)9-21-8-14(19-20-21)13-3-1-2-6-18-13/h1-8,15,22H,9H2
InChIKeyYWUQYHFMDIJKPT-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol

1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol (PubChem CID 53378325) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol
PubChem CID53378325
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol
SMILESOC(Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N4O/c16-10-4-5-11(12(17)7-10)15(22)9-21-8-14(19-20-21)13-3-1-2-6-18-13/h1-8,15,22H,9H2
InChIKeyYWUQYHFMDIJKPT-UHFFFAOYSA-N
XLogP3.38
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol (CID 53378325) is 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol is OC(Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
The InChIKey is YWUQYHFMDIJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c16-10-4-5-11(12(17)7-10)15(22)9-21-8-14(19-20-21)13-3-1-2-6-18-13/h1-8,15,22H,9H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol?
1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol has a molecular weight of 335.19 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-pyridin-2-yltriazol-1-yl)ethanol is sourced from PubChem (CID 53378325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).