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

C₈H₉N₅O₂S — CID 62208681

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

2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (PubChem CID 62208681) has the molecular formula C₈H₉N₅O₂S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

Molecular Properties

• Compound Name: 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
• PubChem CID: 62208681
• Molecular Formula: C₈H₉N₅O₂S
• Molecular Weight: 239.26 g/mol
• Exact Mass: 239.05
• IUPAC Name: 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione
• SMILES: CNc1snnc1Cn1[nH]c(=O)ccc1=O
• InChI: InChI=1S/C8H9N5O2S/c1-9-8-5(10-12-16-8)4-13-7(15)3-2-6(14)11-13/h2-3,9H,4H2,1H3,(H,11,14)
• InChIKey: JBWWCYYOZPKJIB-UHFFFAOYSA-N
• XLogP: -0.52
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.26
LogP ≤ 5	-0.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione?

The IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione (CID 62208681) is 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione.

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

The canonical SMILES for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is CNc1snnc1Cn1[nH]c(=O)ccc1=O.

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

The InChIKey is JBWWCYYOZPKJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-9-8-5(10-12-16-8)4-13-7(15)3-2-6(14)11-13/h2-3,9H,4H2,1H3,(H,11,14).

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

2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione has a molecular weight of 239.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(methylamino)thiadiazol-4-yl]methyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62208681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62208681 — identifiers, structure, computed properties (public domain)

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