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

C12H17N3 — CID 134224792

IUPAC2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine
SMILESCC/C=C\C=C(/C)c1nc(C)nc(C)n1
InChIInChI=1S/C12H17N3/c1-5-6-7-8-9(2)12-14-10(3)13-11(4)15-12/h6-8H,5H2,1-4H3/b7-6-,9-8+
InChIKeyOPADWKOKPALSSS-NMMTYZSQSA-N
MW203.29 g/mol
LogP2.86
Rot. Bonds3

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

2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 134224792) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine
PubChem CID134224792
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine
SMILESCC/C=C\C=C(/C)c1nc(C)nc(C)n1
InChIInChI=1S/C12H17N3/c1-5-6-7-8-9(2)12-14-10(3)13-11(4)15-12/h6-8H,5H2,1-4H3/b7-6-,9-8+
InChIKeyOPADWKOKPALSSS-NMMTYZSQSA-N
XLogP2.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.86
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-dien-2-yl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine (CID 134224792) is 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine is CC/C=C\C=C(/C)c1nc(C)nc(C)n1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is OPADWKOKPALSSS-NMMTYZSQSA-N. The full InChI is InChI=1S/C12H17N3/c1-5-6-7-8-9(2)12-14-10(3)13-11(4)15-12/h6-8H,5H2,1-4H3/b7-6-,9-8+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine?
2-[(2E,4Z)-hepta-2,4-dien-2-yl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 203.29 g/mol, XLogP of 2.86, 3 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-dien-2-yl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 134224792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).