2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol

C15H20F2N4O3 — CID 167932682

IUPAC2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol
SMILESOCCN(CCO)Cc1cn(CC(O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C15H20F2N4O3/c16-11-1-2-13(14(17)7-11)15(24)10-21-9-12(18-19-21)8-20(3-5-22)4-6-23/h1-2,7,9,15,22-24H,3-6,8,10H2
InChIKeyGOXKXDRWHHACHT-UHFFFAOYSA-N
MW342.35 g/mol
LogP0.08
Rot. Bonds9

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

2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 167932682) has the molecular formula C15H20F2N4O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol
PubChem CID167932682
Molecular FormulaC15H20F2N4O3
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC Name2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol
SMILESOCCN(CCO)Cc1cn(CC(O)c2ccc(F)cc2F)nn1
InChIInChI=1S/C15H20F2N4O3/c16-11-1-2-13(14(17)7-11)15(24)10-21-9-12(18-19-21)8-20(3-5-22)4-6-23/h1-2,7,9,15,22-24H,3-6,8,10H2
InChIKeyGOXKXDRWHHACHT-UHFFFAOYSA-N
XLogP0.08
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
CID 129373193
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-(pyridin-2-ylmethyl)amino]propanenitrile
CID 111799350
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-N-[[1-(2-methylpropyl)triazol-4-yl]methyl]ethanamine
CID 166343826
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
CID 167746540
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
CID 62399428
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270552

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol (CID 167932682) is 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol is OCCN(CCO)Cc1cn(CC(O)c2ccc(F)cc2F)nn1.
What is the InChIKey of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is GOXKXDRWHHACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O3/c16-11-1-2-13(14(17)7-11)15(24)10-21-9-12(18-19-21)8-20(3-5-22)4-6-23/h1-2,7,9,15,22-24H,3-6,8,10H2.
What are the key properties of 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol?
2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 342.35 g/mol, XLogP of 0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 167932682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).