2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol

C11H12F2N4O — CID 122441044

IUPAC2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol
SMILESOCCNc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C11H12F2N4O/c12-9-2-1-3-10(13)8(9)6-17-7-11(15-16-17)14-4-5-18/h1-3,7,14,18H,4-6H2
InChIKeyNNOBBZLWKCXSBK-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.01
Rot. Bonds5

About 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol

2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol (PubChem CID 122441044) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol
PubChem CID122441044
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol
SMILESOCCNc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C11H12F2N4O/c12-9-2-1-3-10(13)8(9)6-17-7-11(15-16-17)14-4-5-18/h1-3,7,14,18H,4-6H2
InChIKeyNNOBBZLWKCXSBK-UHFFFAOYSA-N
XLogP1.01
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol with MolForge

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684096
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 90269112
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 118565438
1-benzyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76683779

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol (CID 122441044) is 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol is OCCNc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol?
The InChIKey is NNOBBZLWKCXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c12-9-2-1-3-10(13)8(9)6-17-7-11(15-16-17)14-4-5-18/h1-3,7,14,18H,4-6H2.
What are the key properties of 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol?
2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol has a molecular weight of 254.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]amino]ethanol is sourced from PubChem (CID 122441044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).