2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine

C₁₅H₁₅N₃ — CID 154955725

About 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine (PubChem CID 154955725) has the molecular formula C₁₅H₁₅N₃ and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
• PubChem CID: 154955725
• Molecular Formula: C₁₅H₁₅N₃
• Molecular Weight: 237.31 g/mol
• Exact Mass: 237.13
• IUPAC Name: 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine
• SMILES: CC1=CC=CC1c1ncnc(C2=CCCC=C2)n1
• InChI: InChI=1S/C15H15N3/c1-11-6-5-9-13(11)15-17-10-16-14(18-15)12-7-3-2-4-8-12/h3,5-10,13H,2,4H2,1H3
• InChIKey: KVALWEVQQVNYNY-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.31
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?

The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine (CID 154955725) is 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine is CC1=CC=CC1c1ncnc(C2=CCCC=C2)n1.

What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?

The InChIKey is KVALWEVQQVNYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-6-5-9-13(11)15-17-10-16-14(18-15)12-7-3-2-4-8-12/h3,5-10,13H,2,4H2,1H3.

What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine?

2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine has a molecular weight of 237.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexa-1,5-dien-1-yl-4-(2-methylcyclopenta-2,4-dien-1-yl)-1,3,5-triazine is sourced from PubChem (CID 154955725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154955725 — identifiers, structure, computed properties (public domain)

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