2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid

C11H10N4O4 — CID 60708399

IUPAC2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H10N4O4/c16-10(17)7-19-14-11(18)9-6-12-15(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H,16,17)
InChIKeyWHKDCQWBRXXZCR-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.01
Rot. Bonds5

About 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid

2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid (PubChem CID 60708399) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid
PubChem CID60708399
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H10N4O4/c16-10(17)7-19-14-11(18)9-6-12-15(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H,16,17)
InChIKeyWHKDCQWBRXXZCR-UHFFFAOYSA-N
XLogP0.01
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid (CID 60708399) is 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid?
The InChIKey is WHKDCQWBRXXZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c16-10(17)7-19-14-11(18)9-6-12-15(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H,16,17).
What are the key properties of 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid?
2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid has a molecular weight of 262.23 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyltriazole-4-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 60708399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).