2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine

C₁₅H₁₉N₃ — CID 142126138

About 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine

2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine (PubChem CID 142126138) has the molecular formula C₁₅H₁₉N₃ and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
• PubChem CID: 142126138
• Molecular Formula: C₁₅H₁₉N₃
• Molecular Weight: 241.34 g/mol
• Exact Mass: 241.16
• IUPAC Name: 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine
• SMILES: CCC(CC)c1ncnc(C2=CC=CC3CC23)n1
• InChI: InChI=1S/C15H19N3/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12/h5-7,9-11,13H,3-4,8H2,1-2H3
• InChIKey: RGBVCPJCCHALPU-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.34
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine?

The IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine (CID 142126138) is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine.

What is the SMILES notation for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine?

The canonical SMILES for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine is CCC(CC)c1ncnc(C2=CC=CC3CC23)n1.

What is the InChIKey of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine?

The InChIKey is RGBVCPJCCHALPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-10(4-2)14-16-9-17-15(18-14)12-7-5-6-11-8-13(11)12/h5-7,9-11,13H,3-4,8H2,1-2H3.

What are the key properties of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine?

2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine has a molecular weight of 241.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-pentan-3-yl-1,3,5-triazine is sourced from PubChem (CID 142126138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142126138 — identifiers, structure, computed properties (public domain)

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