N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide

C24H21N5O3S — CID 1136282

IUPACN'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide
SMILESO=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C24H21N5O3S/c30-20-14-8-7-13-19(20)23(32)27-25-21(31)16-33-24-28-26-22(18-11-5-2-6-12-18)29(24)15-17-9-3-1-4-10-17/h1-14,30H,15-16H2,(H,25,31)(H,27,32)
InChIKeySWWKGTCUEFXKBX-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.25
Rot. Bonds7

About N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide

N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide (PubChem CID 1136282) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide
PubChem CID1136282
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC NameN'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide
SMILESO=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C24H21N5O3S/c30-20-14-8-7-13-19(20)23(32)27-25-21(31)16-33-24-28-26-22(18-11-5-2-6-12-18)29(24)15-17-9-3-1-4-10-17/h1-14,30H,15-16H2,(H,25,31)(H,27,32)
InChIKeySWWKGTCUEFXKBX-UHFFFAOYSA-N
XLogP3.25
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[2-[[4-benzyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxy-benzohydrazide
CID 3144995
N-benzyl-2-((4-ethyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 1253378
2-{[4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-benzylacetamide
CID 2208276
4-Bromo-benzoic acid N'-{2-[4-benzyl-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-hydrazide
CID 3168263
2-fluoro-N'-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 9110092
4-{(E)-[2-({[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
CID 9611290
N'-[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxy-benzohydrazide
CID 1144317
2-hydroxy-N'-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1156437
2-hydroxy-N'-[2-[[5-(2-hydroxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 3169005
2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 645077
2-{[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(4-methoxybenzoyl)acetohydrazide
CID 997247
4-[2-[3,5-Bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]acetyl]benzohydrazide
CID 168275483

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide (CID 1136282) is N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide is O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide?
The InChIKey is SWWKGTCUEFXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c30-20-14-8-7-13-19(20)23(32)27-25-21(31)16-33-24-28-26-22(18-11-5-2-6-12-18)29(24)15-17-9-3-1-4-10-17/h1-14,30H,15-16H2,(H,25,31)(H,27,32).
What are the key properties of N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide?
N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide has a molecular weight of 459.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 1136282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).