2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol

C18H20N4O2 — CID 16736230

IUPAC2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCO)cc3)nn2)cc1
InChIInChI=1S/C18H20N4O2/c1-21(2)15-5-3-14(4-6-15)18-13-22(20-19-18)16-7-9-17(10-8-16)24-12-11-23/h3-10,13,23H,11-12H2,1-2H3
InChIKeyFMKDBJJRLPNTKU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol

2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol (PubChem CID 16736230) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
PubChem CID16736230
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCO)cc3)nn2)cc1
InChIInChI=1S/C18H20N4O2/c1-21(2)15-5-3-14(4-6-15)18-13-22(20-19-18)16-7-9-17(10-8-16)24-12-11-23/h3-10,13,23H,11-12H2,1-2H3
InChIKeyFMKDBJJRLPNTKU-UHFFFAOYSA-N
XLogP2.37
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N-methylaniline
CID 16736234
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
4-(4-Methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11638573
2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]ethanol
CID 16192378
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
[2-Amino-2-(hydroxymethyl)-4-[4-[1-(4-methoxyphenyl)triazol-4-yl]phenyl]butyl] dihydrogen phosphate
CID 118716178
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol
CID 122180620
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol
CID 122180621

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol (CID 16736230) is 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol is CN(C)c1ccc(-c2cn(-c3ccc(OCCO)cc3)nn2)cc1.
What is the InChIKey of 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol?
The InChIKey is FMKDBJJRLPNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)15-5-3-14(4-6-15)18-13-22(20-19-18)16-7-9-17(10-8-16)24-12-11-23/h3-10,13,23H,11-12H2,1-2H3.
What are the key properties of 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol?
2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol has a molecular weight of 324.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol is sourced from PubChem (CID 16736230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).