N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide

C11H12N4O2 — CID 113264687

IUPACN-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCc1ccc(O)cc1
InChIInChI=1S/C11H12N4O2/c16-10-3-1-9(2-4-10)7-12-11(17)8-15-6-5-13-14-15/h1-6,16H,7-8H2,(H,12,17)
InChIKeyMFRHNLMUPDYTKO-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.30
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide

N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide (PubChem CID 113264687) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide
PubChem CID113264687
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCc1ccc(O)cc1
InChIInChI=1S/C11H12N4O2/c16-10-3-1-9(2-4-10)7-12-11(17)8-15-6-5-13-14-15/h1-6,16H,7-8H2,(H,12,17)
InChIKeyMFRHNLMUPDYTKO-UHFFFAOYSA-N
XLogP0.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide (CID 113264687) is N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is MFRHNLMUPDYTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-10-3-1-9(2-4-10)7-12-11(17)8-15-6-5-13-14-15/h1-6,16H,7-8H2,(H,12,17).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide?
N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 113264687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).