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

C16H14N4O2 — CID 171345639

IUPACN-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2ncnc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(19-22)14-8-6-12(7-9-14)10-20-15(17-11-18-20)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,19,21)
InChIKeyXQLHQQZDPISYFN-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.11
Rot. Bonds4

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

N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide (PubChem CID 171345639) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
PubChem CID171345639
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2ncnc2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(19-22)14-8-6-12(7-9-14)10-20-15(17-11-18-20)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,19,21)
InChIKeyXQLHQQZDPISYFN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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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Related Compounds

4-[[2-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-N-hydroxybenzamide
CID 135357481
N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 135357494
N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 135357811
N-hydroxy-4-[(5-phenyltetrazol-1-yl)methyl]benzamide
CID 135357870
4-methyl-N-(5-phenyl-4H-1,2,4-triazol-3-yl)benzamide
CID 17429448
N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 155514031
N-hydroxy-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 155534255
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
(E)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-phenylprop-2-enamide
CID 86580779
4-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]benzamide
CID 53611695
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 56868138
2-chloro-4-(1-propyl-1H-1,2,4-triazol-5-yl)benzamide
CID 72838428

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide (CID 171345639) is N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2ncnc2-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
The InChIKey is XQLHQQZDPISYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(19-22)14-8-6-12(7-9-14)10-20-15(17-11-18-20)13-4-2-1-3-5-13/h1-9,11,22H,10H2,(H,19,21).
What are the key properties of N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide?
N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-phenyl-1,2,4-triazol-1-yl)methyl]benzamide is sourced from PubChem (CID 171345639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).