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

C16H14N4O2 — CID 135357811

IUPACN-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(20-22)13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,20,21)(H,17,18,19)
InChIKeyMSCFDHCHPPYDNY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.18
Rot. Bonds4

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

N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 135357811) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID135357811
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C16H14N4O2/c21-16(20-22)13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,20,21)(H,17,18,19)
InChIKeyMSCFDHCHPPYDNY-UHFFFAOYSA-N
XLogP2.18
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-Benzamido-5-phenyl-1,2,4-triazole
CID 570244
[1,1'-Biphenyl]-4-carboxamide, N-(cyclopropylmethyl)-2'-methyl-5'-(3-methyl-1H-1,2,4-triazol-5-yl)-
CID 25093473
N-hydroxy-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 135357494
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
N-hydroxy-3-[5-(phenylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 156011253
3-phenyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 17487156
3,4-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 3232163
1-(4-Fluorobenzoyl)-3-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192180
1-(2-Fluorobenzoyl)-3-(5-phenyl-4H-1,2,4-triazol-3-YL)piperidine
CID 53192183

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 135357811) is N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide is O=C(NO)c1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is MSCFDHCHPPYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(20-22)13-8-6-11(7-9-13)10-14-17-15(19-18-14)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,20,21)(H,17,18,19).
What are the key properties of N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 135357811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).