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

C17H17N3 — CID 144914945

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine
SMILESC=C/C=C\C(=C/C)c1ncnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H17N3/c1-4-6-7-14(5-2)16-18-12-19-17(20-16)15-10-8-13(3)9-11-15/h4-12H,1H2,2-3H3/b7-6-,14-5+
InChIKeyBVJVDPLXXFEYMO-WFRORPSUSA-N
MW263.34 g/mol
LogP3.99
Rot. Bonds4

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

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine (PubChem CID 144914945) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine
PubChem CID144914945
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine
SMILESC=C/C=C\C(=C/C)c1ncnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H17N3/c1-4-6-7-14(5-2)16-18-12-19-17(20-16)15-10-8-13(3)9-11-15/h4-12H,1H2,2-3H3/b7-6-,14-5+
InChIKeyBVJVDPLXXFEYMO-WFRORPSUSA-N
XLogP3.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.99
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-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine (CID 144914945) is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine is C=C/C=C\C(=C/C)c1ncnc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is BVJVDPLXXFEYMO-WFRORPSUSA-N. The full InChI is InChI=1S/C17H17N3/c1-4-6-7-14(5-2)16-18-12-19-17(20-16)15-10-8-13(3)9-11-15/h4-12H,1H2,2-3H3/b7-6-,14-5+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine?
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 263.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 144914945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).