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

C16H19N3 — CID 166761284

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine
SMILESC=C/C=C(\C=C/C)c1ncnc(C(/C=C\C)=C/C)n1
InChIInChI=1S/C16H19N3/c1-5-9-13(8-4)15-17-12-18-16(19-15)14(10-6-2)11-7-3/h5-12H,2H2,1,3-4H3/b9-5-,11-7-,13-8+,14-10+
InChIKeyYFDCDNXZDMYEEZ-QCVGIFRYSA-N
MW253.35 g/mol
LogP4.00
Rot. Bonds5

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

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine (PubChem CID 166761284) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine
PubChem CID166761284
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine
SMILESC=C/C=C(\C=C/C)c1ncnc(C(/C=C\C)=C/C)n1
InChIInChI=1S/C16H19N3/c1-5-9-13(8-4)15-17-12-18-16(19-15)14(10-6-2)11-7-3/h5-12H,2H2,1,3-4H3/b9-5-,11-7-,13-8+,14-10+
InChIKeyYFDCDNXZDMYEEZ-QCVGIFRYSA-N
XLogP4.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.00
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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine (CID 166761284) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine is C=C/C=C(\C=C/C)c1ncnc(C(/C=C\C)=C/C)n1.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine?
The InChIKey is YFDCDNXZDMYEEZ-QCVGIFRYSA-N. The full InChI is InChI=1S/C16H19N3/c1-5-9-13(8-4)15-17-12-18-16(19-15)14(10-6-2)11-7-3/h5-12H,2H2,1,3-4H3/b9-5-,11-7-,13-8+,14-10+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine has a molecular weight of 253.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3,5-triazine is sourced from PubChem (CID 166761284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).