2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine

C₁₇H₁₉N₃ — CID 166761286

About 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine

2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine (PubChem CID 166761286) has the molecular formula C₁₇H₁₉N₃ and a molecular weight of 265.36 g/mol. Its IUPAC name is 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine
• PubChem CID: 166761286
• Molecular Formula: C₁₇H₁₉N₃
• Molecular Weight: 265.36 g/mol
• Exact Mass: 265.16
• IUPAC Name: 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine
• SMILES: C=C/C=C\C(=C/C)c1ncnc(C(/C=C\C=C)=C/C)n1
• InChI: InChI=1S/C17H19N3/c1-5-9-11-14(7-3)16-18-13-19-17(20-16)15(8-4)12-10-6-2/h5-13H,1-2H2,3-4H3/b11-9-,12-10-,14-7+,15-8+
• InChIKey: ZYGKFBKSRIALDR-QKNWSJPTSA-N
• XLogP: 4.16
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.36
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine?

The IUPAC name of 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine (CID 166761286) is 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine?

The canonical SMILES for 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine is C=C/C=C\C(=C/C)c1ncnc(C(/C=C\C=C)=C/C)n1.

What is the InChIKey of 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine?

The InChIKey is ZYGKFBKSRIALDR-QKNWSJPTSA-N. The full InChI is InChI=1S/C17H19N3/c1-5-9-11-14(7-3)16-18-13-19-17(20-16)15(8-4)12-10-6-2/h5-13H,1-2H2,3-4H3/b11-9-,12-10-,14-7+,15-8+.

What are the key properties of 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine?

2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine has a molecular weight of 265.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine is sourced from PubChem (CID 166761286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166761286 — identifiers, structure, computed properties (public domain)

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