N-(3-hydroxybenzotriazol-5-yl)acetamide

C8H8N4O2 — CID 57317283

IUPACN-(3-hydroxybenzotriazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2nnn(O)c2c1
InChIInChI=1S/C8H8N4O2/c1-5(13)9-6-2-3-7-8(4-6)12(14)11-10-7/h2-4,14H,1H3,(H,9,13)
InChIKeySRGKZMWEGKKELZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.63
Rot. Bonds1

About N-(3-hydroxybenzotriazol-5-yl)acetamide

N-(3-hydroxybenzotriazol-5-yl)acetamide (PubChem CID 57317283) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(3-hydroxybenzotriazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxybenzotriazol-5-yl)acetamide
PubChem CID57317283
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-(3-hydroxybenzotriazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2nnn(O)c2c1
InChIInChI=1S/C8H8N4O2/c1-5(13)9-6-2-3-7-8(4-6)12(14)11-10-7/h2-4,14H,1H3,(H,9,13)
InChIKeySRGKZMWEGKKELZ-UHFFFAOYSA-N
XLogP0.63
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidopyrido[1,2-a]benzimidazol-8-yl)acetamide
CID 12782375
N-[4-[6-(trifluoromethyl)benzotriazol-1-yl]phenyl]acetamide
CID 86252735
N-(4-acetamidophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051571
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
N-[3-(1-iodoethyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetamide
CID 143549922
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-(1-tert-butylbenzimidazol-5-yl)acetamide
CID 749161
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxybenzotriazole-5-carboxamide
CID 2103166
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
CID 952763
2-amino-2-methylpropanamide;1-hydroxybenzotriazole
CID 160606346
N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
CID 100916426

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybenzotriazol-5-yl)acetamide?
The IUPAC name of N-(3-hydroxybenzotriazol-5-yl)acetamide (CID 57317283) is N-(3-hydroxybenzotriazol-5-yl)acetamide.
What is the SMILES notation for N-(3-hydroxybenzotriazol-5-yl)acetamide?
The canonical SMILES for N-(3-hydroxybenzotriazol-5-yl)acetamide is CC(=O)Nc1ccc2nnn(O)c2c1.
What is the InChIKey of N-(3-hydroxybenzotriazol-5-yl)acetamide?
The InChIKey is SRGKZMWEGKKELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(13)9-6-2-3-7-8(4-6)12(14)11-10-7/h2-4,14H,1H3,(H,9,13).
What are the key properties of N-(3-hydroxybenzotriazol-5-yl)acetamide?
N-(3-hydroxybenzotriazol-5-yl)acetamide has a molecular weight of 192.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybenzotriazol-5-yl)acetamide is sourced from PubChem (CID 57317283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).