2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol

C13H16F2N4O — CID 66270552

IUPAC2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESCC(NCc1cn(CCO)nn1)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N4O/c1-9(12-6-10(14)2-3-13(12)15)16-7-11-8-19(4-5-20)18-17-11/h2-3,6,8-9,16,20H,4-5,7H2,1H3
InChIKeyTVQPKYBAIYEHHE-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol

2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66270552) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
PubChem CID66270552
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESCC(NCc1cn(CCO)nn1)c1cc(F)ccc1F
InChIInChI=1S/C13H16F2N4O/c1-9(12-6-10(14)2-3-13(12)15)16-7-11-8-19(4-5-20)18-17-11/h2-3,6,8-9,16,20H,4-5,7H2,1H3
InChIKeyTVQPKYBAIYEHHE-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
2-[4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270187
2-[4-[[[(1S)-1-phenylethyl]amino]methyl]triazol-1-yl]ethanol
CID 81351583
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81363740
2-[4-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81371367
2-[4-[(5-methylhexan-2-ylamino)methyl]triazol-1-yl]ethanol
CID 66268833
3-[4-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81389472
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
3-[4-[(2,4-difluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66268338
3-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81379401
2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66270581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol (CID 66270552) is 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol is CC(NCc1cn(CCO)nn1)c1cc(F)ccc1F.
What is the InChIKey of 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is TVQPKYBAIYEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-9(12-6-10(14)2-3-13(12)15)16-7-11-8-19(4-5-20)18-17-11/h2-3,6,8-9,16,20H,4-5,7H2,1H3.
What are the key properties of 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 282.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).