2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine

C15H19N3 — CID 122600421

IUPAC2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
SMILESCC1=NC(C)N=C(C/C=C\C=C2\C=CC=CC2)N1
InChIInChI=1S/C15H19N3/c1-12-16-13(2)18-15(17-12)11-7-6-10-14-8-4-3-5-9-14/h3-8,10,12H,9,11H2,1-2H3,(H,16,17,18)/b7-6-,14-10-
InChIKeyWDSYNEARFLNAAX-FSGUHFLXSA-N
MW241.34 g/mol
LogP3.14
Rot. Bonds3

About 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine

2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine (PubChem CID 122600421) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
PubChem CID122600421
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
SMILESCC1=NC(C)N=C(C/C=C\C=C2\C=CC=CC2)N1
InChIInChI=1S/C15H19N3/c1-12-16-13(2)18-15(17-12)11-7-6-10-14-8-4-3-5-9-14/h3-8,10,12H,9,11H2,1-2H3,(H,16,17,18)/b7-6-,14-10-
InChIKeyWDSYNEARFLNAAX-FSGUHFLXSA-N
XLogP3.14
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine (CID 122600421) is 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine is CC1=NC(C)N=C(C/C=C\C=C2\C=CC=CC2)N1.
What is the InChIKey of 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is WDSYNEARFLNAAX-FSGUHFLXSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-16-13(2)18-15(17-12)11-7-6-10-14-8-4-3-5-9-14/h3-8,10,12H,9,11H2,1-2H3,(H,16,17,18)/b7-6-,14-10-.
What are the key properties of 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine?
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 241.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 122600421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).