N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

C13H14N4O3 — CID 62399987

IUPACN-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1cc(CO)nn1
InChIInChI=1S/C13H14N4O3/c1-9(19)11-4-2-3-5-12(11)14-13(20)7-17-6-10(8-18)15-16-17/h2-6,18H,7-8H2,1H3,(H,14,20)
InChIKeyUXNNZVVHUPUYNU-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.61
Rot. Bonds5

About N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 62399987) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID62399987
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1cc(CO)nn1
InChIInChI=1S/C13H14N4O3/c1-9(19)11-4-2-3-5-12(11)14-13(20)7-17-6-10(8-18)15-16-17/h2-6,18H,7-8H2,1H3,(H,14,20)
InChIKeyUXNNZVVHUPUYNU-UHFFFAOYSA-N
XLogP0.61
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419537
2-chloro-N-[2-[4-(hydroxymethyl)triazol-1-yl]acetyl]benzamide
CID 62400556
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594
2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
CID 115459058
2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
CID 155814179
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 62399826
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (CID 62399987) is N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)Cn1cc(CO)nn1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is UXNNZVVHUPUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9(19)11-4-2-3-5-12(11)14-13(20)7-17-6-10(8-18)15-16-17/h2-6,18H,7-8H2,1H3,(H,14,20).
What are the key properties of N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62399987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).