2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol

C15H22N4O2 — CID 66269059

IUPAC2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
SMILESCC(C)COc1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C15H22N4O2/c1-12(2)11-21-15-5-3-4-13(8-15)16-9-14-10-19(6-7-20)18-17-14/h3-5,8,10,12,16,20H,6-7,9,11H2,1-2H3
InChIKeyXOARPUKJBGYGCN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.92
Rot. Bonds8

About 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol

2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol (PubChem CID 66269059) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
PubChem CID66269059
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
SMILESCC(C)COc1cccc(NCc2cn(CCO)nn2)c1
InChIInChI=1S/C15H22N4O2/c1-12(2)11-21-15-5-3-4-13(8-15)16-9-14-10-19(6-7-20)18-17-14/h3-5,8,10,12,16,20H,6-7,9,11H2,1-2H3
InChIKeyXOARPUKJBGYGCN-UHFFFAOYSA-N
XLogP1.92
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64829217
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[[3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269771
3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
N-[(6-bromo-2-pyridinyl)methyl]-3-(2-methylpropoxy)aniline
CID 115938141
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966
3-[4-[(3-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270046
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol (CID 66269059) is 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol is CC(C)COc1cccc(NCc2cn(CCO)nn2)c1.
What is the InChIKey of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol?
The InChIKey is XOARPUKJBGYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(2)11-21-15-5-3-4-13(8-15)16-9-14-10-19(6-7-20)18-17-14/h3-5,8,10,12,16,20H,6-7,9,11H2,1-2H3.
What are the key properties of 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol?
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol has a molecular weight of 290.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).