N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide

C11H12N4O3 — CID 135903305

IUPACN-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide
SMILESO=C(NO)c1cn(CCOc2ccccc2)nn1
InChIInChI=1S/C11H12N4O3/c16-11(13-17)10-8-15(14-12-10)6-7-18-9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,13,16)
InChIKeyJAYXHJPHYJVNTL-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.48
Rot. Bonds5

About N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide

N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide (PubChem CID 135903305) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide
PubChem CID135903305
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide
SMILESO=C(NO)c1cn(CCOc2ccccc2)nn1
InChIInChI=1S/C11H12N4O3/c16-11(13-17)10-8-15(14-12-10)6-7-18-9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,13,16)
InChIKeyJAYXHJPHYJVNTL-UHFFFAOYSA-N
XLogP0.48
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide (CID 135903305) is N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide is O=C(NO)c1cn(CCOc2ccccc2)nn1.
What is the InChIKey of N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide?
The InChIKey is JAYXHJPHYJVNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-11(13-17)10-8-15(14-12-10)6-7-18-9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,13,16).
What are the key properties of N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide?
N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-phenoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 135903305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).