4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide

C22H19N5O2 — CID 164615547

IUPAC4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O2/c28-22(26-29)17-11-13-18(14-12-17)23-15-20-24-21(16-7-3-1-4-8-16)25-27(20)19-9-5-2-6-10-19/h1-14,23,29H,15H2,(H,26,28)
InChIKeyLSTMHRZEOHLEAB-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.67
Rot. Bonds6

About 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide

4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide (PubChem CID 164615547) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide
PubChem CID164615547
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C22H19N5O2/c28-22(26-29)17-11-13-18(14-12-17)23-15-20-24-21(16-7-3-1-4-8-16)25-27(20)19-9-5-2-6-10-19/h1-14,23,29H,15H2,(H,26,28)
InChIKeyLSTMHRZEOHLEAB-UHFFFAOYSA-N
XLogP3.67
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.67
H-Bond Donors ≤ 53
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 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide (CID 164615547) is 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide is O=C(NO)c1ccc(NCc2nc(-c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide?
The InChIKey is LSTMHRZEOHLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-22(26-29)17-11-13-18(14-12-17)23-15-20-24-21(16-7-3-1-4-8-16)25-27(20)19-9-5-2-6-10-19/h1-14,23,29H,15H2,(H,26,28).
What are the key properties of 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide?
4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide has a molecular weight of 385.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-diphenyl-1,2,4-triazol-3-yl)methylamino]-N-hydroxybenzamide is sourced from PubChem (CID 164615547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).