2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol

C14H20N4O2 — CID 66269794

IUPAC2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
SMILESCCCOc1ccccc1NCc1cn(CCO)nn1
InChIInChI=1S/C14H20N4O2/c1-2-9-20-14-6-4-3-5-13(14)15-10-12-11-18(7-8-19)17-16-12/h3-6,11,15,19H,2,7-10H2,1H3
InChIKeyILYUMLXDEJCYDI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds8

About 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol

2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66269794) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
PubChem CID66269794
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
SMILESCCCOc1ccccc1NCc1cn(CCO)nn1
InChIInChI=1S/C14H20N4O2/c1-2-9-20-14-6-4-3-5-13(14)15-10-12-11-18(7-8-19)17-16-12/h3-6,11,15,19H,2,7-10H2,1H3
InChIKeyILYUMLXDEJCYDI-UHFFFAOYSA-N
XLogP1.67
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyltriazol-4-yl)methyl]-2-propoxyaniline
CID 115682687
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
2-propoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761631
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylbenzenesulfonamide
CID 66270952
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62748401
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol
CID 66268480
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
2-[4-[[3-(2-methylpropoxy)anilino]methyl]triazol-1-yl]ethanol
CID 66269059
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylbenzamide
CID 66269308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol (CID 66269794) is 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol is CCCOc1ccccc1NCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is ILYUMLXDEJCYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-9-20-14-6-4-3-5-13(14)15-10-12-11-18(7-8-19)17-16-12/h3-6,11,15,19H,2,7-10H2,1H3.
What are the key properties of 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).