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

C11H14ClN7OS — CID 17344905

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

2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 17344905) has the molecular formula C11H14ClN7OS and a molecular weight of 327.80 g/mol. Its IUPAC name is 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
• PubChem CID: 17344905
• Molecular Formula: C11H14ClN7OS
• Molecular Weight: 327.80 g/mol
• Exact Mass: 327.07
• IUPAC Name: 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NN)n1N
• InChI: InChI=1S/C11H14ClN7OS/c1-6-2-3-7(12)4-8(6)15-9(20)5-21-11-18-17-10(16-13)19(11)14/h2-4H,5,13-14H2,1H3,(H,15,20)(H,16,17)
• InChIKey: FGQAZRVATVWKHE-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 123.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.80
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide?

The IUPAC name of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide (CID 17344905) is 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide.

What is the SMILES notation for 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide?

The canonical SMILES for 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CSc1nnc(NN)n1N.

What is the InChIKey of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide?

The InChIKey is FGQAZRVATVWKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7OS/c1-6-2-3-7(12)4-8(6)15-9(20)5-21-11-18-17-10(16-13)19(11)14/h2-4H,5,13-14H2,1H3,(H,15,20)(H,16,17).

What are the key properties of 2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide?

2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 327.80 g/mol, XLogP of 0.97, 5 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-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 17344905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).