2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide

C12H16ClN7OS — CID 17344899

IUPAC2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide
SMILESNNc1nnc(SCC(=O)NCCc2ccccc2Cl)n1N
InChIInChI=1S/C12H16ClN7OS/c13-9-4-2-1-3-8(9)5-6-16-10(21)7-22-12-19-18-11(17-14)20(12)15/h1-4H,5-7,14-15H2,(H,16,21)(H,17,18)
InChIKeyXZKPMJWXSXVUBM-UHFFFAOYSA-N
MW341.83 g/mol
LogP0.38
Rot. Bonds7

About 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide

2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide (PubChem CID 17344899) has the molecular formula C12H16ClN7OS and a molecular weight of 341.83 g/mol. Its IUPAC name is 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide
PubChem CID17344899
Molecular FormulaC12H16ClN7OS
Molecular Weight341.83 g/mol
Exact Mass341.08
IUPAC Name2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide
SMILESNNc1nnc(SCC(=O)NCCc2ccccc2Cl)n1N
InChIInChI=1S/C12H16ClN7OS/c13-9-4-2-1-3-8(9)5-6-16-10(21)7-22-12-19-18-11(17-14)20(12)15/h1-4H,5-7,14-15H2,(H,16,21)(H,17,18)
InChIKeyXZKPMJWXSXVUBM-UHFFFAOYSA-N
XLogP0.38
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8578135
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2408204
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 2411653
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 8002220
2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 17344823
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butylacetamide
CID 84601594
2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 17344905
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 1412788
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8567177
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2689525
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956433

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide (CID 17344899) is 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide is NNc1nnc(SCC(=O)NCCc2ccccc2Cl)n1N.
What is the InChIKey of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is XZKPMJWXSXVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7OS/c13-9-4-2-1-3-8(9)5-6-16-10(21)7-22-12-19-18-11(17-14)20(12)15/h1-4H,5-7,14-15H2,(H,16,21)(H,17,18).
What are the key properties of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide?
2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 341.83 g/mol, XLogP of 0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 17344899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).