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

C14H18N4O2 — CID 56766402

IUPAC2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnc(CO)c1CCc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-15-14(20)9-18-13(12(10-19)16-17-18)8-7-11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3,(H,15,20)
InChIKeyAQYUHBLDOAQOQO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.30
Rot. Bonds6

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

2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide (PubChem CID 56766402) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide
PubChem CID56766402
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnc(CO)c1CCc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-15-14(20)9-18-13(12(10-19)16-17-18)8-7-11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3,(H,15,20)
InChIKeyAQYUHBLDOAQOQO-UHFFFAOYSA-N
XLogP0.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide (CID 56766402) is 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nnc(CO)c1CCc1ccccc1.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide?
The InChIKey is AQYUHBLDOAQOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-15-14(20)9-18-13(12(10-19)16-17-18)8-7-11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3,(H,15,20).
What are the key properties of 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide?
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 56766402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).