4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine

C17H20N4 — CID 123718763

IUPAC4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESCC=C(C=CCCC)c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C17H20N4/c1-3-5-7-10-13(4-2)15-19-16(21-17(18)20-15)14-11-8-6-9-12-14/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20,21)
InChIKeyCEJLQZGQYCMJGL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.88
Rot. Bonds5

About 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine

4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 123718763) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine
PubChem CID123718763
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine
SMILESCC=C(C=CCCC)c1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C17H20N4/c1-3-5-7-10-13(4-2)15-19-16(21-17(18)20-15)14-11-8-6-9-12-14/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20,21)
InChIKeyCEJLQZGQYCMJGL-UHFFFAOYSA-N
XLogP3.88
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine (CID 123718763) is 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine is CC=C(C=CCCC)c1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is CEJLQZGQYCMJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-5-7-10-13(4-2)15-19-16(21-17(18)20-15)14-11-8-6-9-12-14/h4,6-12H,3,5H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine?
4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octa-2,4-dien-3-yl-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 123718763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).