N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide

C17H16N4O2 — CID 135357494

IUPACN-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1c(Cc2ccc(C(=O)NO)cc2)nnc1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-21-15(18-19-16(21)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)17(22)20-23/h2-10,23H,11H2,1H3,(H,20,22)
InChIKeyPYRZUONFEKXXRZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.19
Rot. Bonds4

About N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide

N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 135357494) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID135357494
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCn1c(Cc2ccc(C(=O)NO)cc2)nnc1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c1-21-15(18-19-16(21)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)17(22)20-23/h2-10,23H,11H2,1H3,(H,20,22)
InChIKeyPYRZUONFEKXXRZ-UHFFFAOYSA-N
XLogP2.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.19
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'}

Analyze N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 135357494) is N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide is Cn1c(Cc2ccc(C(=O)NO)cc2)nnc1-c1ccccc1.
What is the InChIKey of N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is PYRZUONFEKXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-15(18-19-16(21)13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)17(22)20-23/h2-10,23H,11H2,1H3,(H,20,22).
What are the key properties of N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 135357494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).