2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide

C16H14N4O2 — CID 155384841

IUPAC2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
SMILESO=C(Cn1c(-c2ccccc2)nnc1-c1ccccc1)NO
InChIInChI=1S/C16H14N4O2/c21-14(19-22)11-20-15(12-7-3-1-4-8-12)17-18-16(20)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,21)
InChIKeyOSAVIQPNJBUSCI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.12
Rot. Bonds4

About 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide

2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide (PubChem CID 155384841) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
PubChem CID155384841
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
SMILESO=C(Cn1c(-c2ccccc2)nnc1-c1ccccc1)NO
InChIInChI=1S/C16H14N4O2/c21-14(19-22)11-20-15(12-7-3-1-4-8-12)17-18-16(20)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,21)
InChIKeyOSAVIQPNJBUSCI-UHFFFAOYSA-N
XLogP2.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide (CID 155384841) is 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide is O=C(Cn1c(-c2ccccc2)nnc1-c1ccccc1)NO.
What is the InChIKey of 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide?
The InChIKey is OSAVIQPNJBUSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-14(19-22)11-20-15(12-7-3-1-4-8-12)17-18-16(20)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,21).
What are the key properties of 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide?
2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide is sourced from PubChem (CID 155384841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).