2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C₉H₁₂N₆O₂S — CID 63271567

About 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271567) has the molecular formula C₉H₁₂N₆O₂S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

• Compound Name: 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
• PubChem CID: 63271567
• Molecular Formula: C₉H₁₂N₆O₂S
• Molecular Weight: 268.30 g/mol
• Exact Mass: 268.07
• IUPAC Name: 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
• SMILES: Cc1c(C)c(=O)n(Cc2nnsc2NN)[nH]c1=O
• InChI: InChI=1S/C9H12N6O2S/c1-4-5(2)9(17)15(13-7(4)16)3-6-8(11-10)18-14-12-6/h11H,3,10H2,1-2H3,(H,13,16)
• InChIKey: ZOOIMFPUHMSLHA-UHFFFAOYSA-N
• XLogP: -0.66
• TPSA: 118.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.30
LogP ≤ 5	-0.66
H-Bond Donors ≤ 5	3
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-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?

The IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271567) is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

What is the SMILES notation for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?

The canonical SMILES for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(Cc2nnsc2NN)[nH]c1=O.

What is the InChIKey of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?

The InChIKey is ZOOIMFPUHMSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-4-5(2)9(17)15(13-7(4)16)3-6-8(11-10)18-14-12-6/h11H,3,10H2,1-2H3,(H,13,16).

What are the key properties of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?

2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 268.30 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63271567 — identifiers, structure, computed properties (public domain)

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