2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide

C14H16N4O2 — CID 82211292

IUPAC2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnc(CO)c1/C=C/c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-15-14(20)9-18-13(12(10-19)16-17-18)8-7-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3,(H,15,20)/b8-7+
InChIKeyNGRKTAQLPIXUGX-BQYQJAHWSA-N
MW272.31 g/mol
LogP0.69
Rot. Bonds5

About 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide

2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide (PubChem CID 82211292) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
PubChem CID82211292
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnc(CO)c1/C=C/c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-15-14(20)9-18-13(12(10-19)16-17-18)8-7-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3,(H,15,20)/b8-7+
InChIKeyNGRKTAQLPIXUGX-BQYQJAHWSA-N
XLogP0.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methylprop-2-enyl)-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82210830
[1-pentyl-5-[(E)-2-phenylethenyl]triazol-4-yl]methanol
CID 82205810
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
CID 82203119
2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211268
2-[4-(hydroxymethyl)-5-(2-methylpropyl)triazol-1-yl]-N-methylacetamide
CID 82211248
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
2-[5-(3,4-dimethylphenyl)-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211263
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-hexyltriazol-4-yl]methanol
CID 82206066
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
CID 82207834
5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82211199
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-propylacetamide
CID 82211365

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide (CID 82211292) is 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nnc(CO)c1/C=C/c1ccccc1.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide?
The InChIKey is NGRKTAQLPIXUGX-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-15-14(20)9-18-13(12(10-19)16-17-18)8-7-11-5-3-2-4-6-11/h2-8,19H,9-10H2,1H3,(H,15,20)/b8-7+.
What are the key properties of 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide?
2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide has a molecular weight of 272.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-[(E)-2-phenylethenyl]triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 82211292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).