4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide

C15H12ClN5O2S — CID 2082221

IUPAC4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1nnc2ccccn12)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5O2S/c16-11-6-4-10(5-7-11)14(23)19-18-13(22)9-24-15-20-17-12-3-1-2-8-21(12)15/h1-8H,9H2,(H,18,22)(H,19,23)
InChIKeyBGSJJQKYUPXDRG-UHFFFAOYSA-N
MW361.81 g/mol
LogP1.94
Rot. Bonds4

About 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide

4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide (PubChem CID 2082221) has the molecular formula C15H12ClN5O2S and a molecular weight of 361.81 g/mol. Its IUPAC name is 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
PubChem CID2082221
Molecular FormulaC15H12ClN5O2S
Molecular Weight361.81 g/mol
Exact Mass361.04
IUPAC Name4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1nnc2ccccn12)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN5O2S/c16-11-6-4-10(5-7-11)14(23)19-18-13(22)9-24-15-20-17-12-3-1-2-8-21(12)15/h1-8H,9H2,(H,18,22)(H,19,23)
InChIKeyBGSJJQKYUPXDRG-UHFFFAOYSA-N
XLogP1.94
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide 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

4-methyl-N'-[2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1132990
2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
CID 9262805
N'-[2-[(4-propyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 1455166
2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 156906982
1-Phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
CID 977187
2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[(4-methylphenyl)carbonyl amino]acetamide
CID 1142960
Benzoic acid N'-[2-(4-ethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-hydrazide
CID 1143260
2-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylacetylamino)aceta mide
CID 1143263
2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide
CID 2079707
2-[4-[(6,8-Dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butyl]isoindole-1,3-dione
CID 2547330
1-(4-Chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
CID 2108637
N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide
CID 2613271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide (CID 2082221) is 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide is O=C(CSc1nnc2ccccn12)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
The InChIKey is BGSJJQKYUPXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S/c16-11-6-4-10(5-7-11)14(23)19-18-13(22)9-24-15-20-17-12-3-1-2-8-21(12)15/h1-8H,9H2,(H,18,22)(H,19,23).
What are the key properties of 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide?
4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide has a molecular weight of 361.81 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 2082221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).