Dixyrazine

C₂₄H₃₃N₃O₂S — CID 17182

About Dixyrazine

Dixyrazine (PubChem CID 17182) has the molecular formula C₂₄H₃₃N₃O₂S and a molecular weight of 427.61 g/mol. Its IUPAC name is 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

• Compound Name: Dixyrazine
• PubChem CID: 17182
• Molecular Formula: C₂₄H₃₃N₃O₂S
• Molecular Weight: 427.61 g/mol
• Exact Mass: 427.23
• IUPAC Name: 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol
• SMILES: CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21
• InChI: InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3
• InChIKey: MSYUMPGNGDNTIQ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 39.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.61
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dixyrazine?

The IUPAC name of Dixyrazine (CID 17182) is 2-[2-[4-(2-methyl-3-phenothiazin-10-ylpropyl)piperazin-1-yl]ethoxy]ethanol.

What is the SMILES notation for Dixyrazine?

The canonical SMILES for Dixyrazine is CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc21.

What is the InChIKey of Dixyrazine?

The InChIKey is MSYUMPGNGDNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3.

What are the key properties of Dixyrazine?

Dixyrazine has a molecular weight of 427.61 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Dixyrazine is sourced from PubChem (CID 17182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17182 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 933 — approved-drug record (CC BY-SA 4.0)

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