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

C17H19N3 — CID 166761286

IUPAC2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine
SMILESC=C/C=C\C(=C/C)c1ncnc(C(/C=C\C=C)=C/C)n1
InChIInChI=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+
InChIKeyZYGKFBKSRIALDR-QKNWSJPTSA-N
MW265.36 g/mol
LogP4.16
Rot. Bonds6

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 Name2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine
PubChem CID166761286
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2,4-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1,3,5-triazine
SMILESC=C/C=C\C(=C/C)c1ncnc(C(/C=C\C=C)=C/C)n1
InChIInChI=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+
InChIKeyZYGKFBKSRIALDR-QKNWSJPTSA-N
XLogP4.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).