N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C9H8N4O3 — CID 99984183

IUPACN-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NO
InChIInChI=1S/C9H8N4O3/c14-8(11-16)5-13-9(15)6-3-1-2-4-7(6)10-12-13/h1-4,16H,5H2,(H,11,14)
InChIKeyMDTPVIOGFVNALV-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.70
Rot. Bonds2

About N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 99984183) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID99984183
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC NameN-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NO
InChIInChI=1S/C9H8N4O3/c14-8(11-16)5-13-9(15)6-3-1-2-4-7(6)10-12-13/h1-4,16H,5H2,(H,11,14)
InChIKeyMDTPVIOGFVNALV-UHFFFAOYSA-N
XLogP-0.70
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538
2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanedioic acid
CID 4894424
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 99984183) is N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)NO.
What is the InChIKey of N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is MDTPVIOGFVNALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-8(11-16)5-13-9(15)6-3-1-2-4-7(6)10-12-13/h1-4,16H,5H2,(H,11,14).
What are the key properties of N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 220.19 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 99984183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).