2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol

C13H16F2N4O — CID 155970352

IUPAC2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol
SMILESCn1ncnc1C(Cc1ccc(F)cc1F)NCCO
InChIInChI=1S/C13H16F2N4O/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15/h2-3,7-8,12,16,20H,4-6H2,1H3
InChIKeyMXSFDQOVCRHFBM-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.96
Rot. Bonds6

About 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol

2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol (PubChem CID 155970352) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol
PubChem CID155970352
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol
SMILESCn1ncnc1C(Cc1ccc(F)cc1F)NCCO
InChIInChI=1S/C13H16F2N4O/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15/h2-3,7-8,12,16,20H,4-6H2,1H3
InChIKeyMXSFDQOVCRHFBM-UHFFFAOYSA-N
XLogP0.96
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol (CID 155970352) is 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol is Cn1ncnc1C(Cc1ccc(F)cc1F)NCCO.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol?
The InChIKey is MXSFDQOVCRHFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-19-13(17-8-18-19)12(16-4-5-20)6-9-2-3-10(14)7-11(9)15/h2-3,7-8,12,16,20H,4-6H2,1H3.
What are the key properties of 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol?
2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol has a molecular weight of 282.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethanol is sourced from PubChem (CID 155970352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).