2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene

C19H24ClN3 — CID 144788365

IUPAC2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene
SMILESC=C.C=C/C(=C\C=C/CC)c1nc(Cl)nc(/C(C=C)=C/CC)n1
InChIInChI=1S/C17H20ClN3.C2H4/c1-5-9-10-12-14(8-4)16-19-15(20-17(18)21-16)13(7-3)11-6-2;1-2/h7-12H,3-6H2,1-2H3;1-2H2/b10-9-,13-11+,14-12+;
InChIKeyXXIWYEQFQFJGSA-GHDBUZDUSA-N
MW329.88 g/mol
LogP5.84
Rot. Bonds7

About 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene

2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene (PubChem CID 144788365) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene.

Molecular Properties

Compound Name2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene
PubChem CID144788365
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene
SMILESC=C.C=C/C(=C\C=C/CC)c1nc(Cl)nc(/C(C=C)=C/CC)n1
InChIInChI=1S/C17H20ClN3.C2H4/c1-5-9-10-12-14(8-4)16-19-15(20-17(18)21-16)13(7-3)11-6-2;1-2/h7-12H,3-6H2,1-2H3;1-2H2/b10-9-,13-11+,14-12+;
InChIKeyXXIWYEQFQFJGSA-GHDBUZDUSA-N
XLogP5.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.88
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene?
The IUPAC name of 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene (CID 144788365) is 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene.
What is the SMILES notation for 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene?
The canonical SMILES for 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene is C=C.C=C/C(=C\C=C/CC)c1nc(Cl)nc(/C(C=C)=C/CC)n1.
What is the InChIKey of 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene?
The InChIKey is XXIWYEQFQFJGSA-GHDBUZDUSA-N. The full InChI is InChI=1S/C17H20ClN3.C2H4/c1-5-9-10-12-14(8-4)16-19-15(20-17(18)21-16)13(7-3)11-6-2;1-2/h7-12H,3-6H2,1-2H3;1-2H2/b10-9-,13-11+,14-12+;.
What are the key properties of 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene?
2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene has a molecular weight of 329.88 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3E)-hexa-1,3-dien-3-yl]-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]-1,3,5-triazine;ethene is sourced from PubChem (CID 144788365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).