5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one

C₉H₁₁N₅OS — CID 106549020

About 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one

5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (PubChem CID 106549020) has the molecular formula C₉H₁₁N₅OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
• PubChem CID: 106549020
• Molecular Formula: C₉H₁₁N₅OS
• Molecular Weight: 237.29 g/mol
• Exact Mass: 237.07
• IUPAC Name: 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one
• SMILES: CNc1snnc1Cn1ncc(C)cc1=O
• InChI: InChI=1S/C9H11N5OS/c1-6-3-8(15)14(11-4-6)5-7-9(10-2)16-13-12-7/h3-4,10H,5H2,1-2H3
• InChIKey: IEWRFRHJTUTGCM-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.29
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?

The IUPAC name of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one (CID 106549020) is 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?

The canonical SMILES for 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is CNc1snnc1Cn1ncc(C)cc1=O.

What is the InChIKey of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?

The InChIKey is IEWRFRHJTUTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6-3-8(15)14(11-4-6)5-7-9(10-2)16-13-12-7/h3-4,10H,5H2,1-2H3.

What are the key properties of 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one?

5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one has a molecular weight of 237.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 106549020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106549020 — identifiers, structure, computed properties (public domain)

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