2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine

C₂₅H₁₇N₁₉O — CID 141340016

About 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine

2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine (PubChem CID 141340016) has the molecular formula C₂₅H₁₇N₁₉O and a molecular weight of 599.54 g/mol. Its IUPAC name is 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine.

Molecular Properties

• Compound Name: 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine
• PubChem CID: 141340016
• Molecular Formula: C₂₅H₁₇N₁₉O
• Molecular Weight: 599.54 g/mol
• Exact Mass: 599.19
• IUPAC Name: 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine
• SMILES: c1ccc(C2(c3nnccc3-c3cn[nH]n3)N(c3ncccn3)N(c3cnccn3)OC2(c2ccnnn2)c2nn[nH]n2)nc1
• InChI: InChI=1S/C25H17N19O/c1-2-7-27-18(4-1)24(21-16(5-10-31-36-21)17-14-33-40-34-17)25(22-37-41-42-38-22,19-6-11-32-39-35-19)45-44(20-15-26-12-13-28-20)43(24)23-29-8-3-9-30-23/h1-15H,(H,33,34,40)(H,37,38,41,42)
• InChIKey: VBZQAFYSVTVDMH-UHFFFAOYSA-N
• XLogP: -0.00
• TPSA: 240.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.54
LogP ≤ 5	-0.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine?

The IUPAC name of 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine (CID 141340016) is 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine.

What is the SMILES notation for 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine?

The canonical SMILES for 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine is c1ccc(C2(c3nnccc3-c3cn[nH]n3)N(c3ncccn3)N(c3cnccn3)OC2(c2ccnnn2)c2nn[nH]n2)nc1.

What is the InChIKey of 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine?

The InChIKey is VBZQAFYSVTVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N19O/c1-2-7-27-18(4-1)24(21-16(5-10-31-36-21)17-14-33-40-34-17)25(22-37-41-42-38-22,19-6-11-32-39-35-19)45-44(20-15-26-12-13-28-20)43(24)23-29-8-3-9-30-23/h1-15H,(H,33,34,40)(H,37,38,41,42).

What are the key properties of 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine?

2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine has a molecular weight of 599.54 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-5-(2H-tetrazol-5-yl)-5-(triazin-4-yl)-4-[4-(2H-triazol-4-yl)pyridazin-3-yl]oxadiazolidine is sourced from PubChem (CID 141340016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141340016 — identifiers, structure, computed properties (public domain)

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