2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine

C11H9N3 — CID 156561861

IUPAC2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine
SMILESC=C=Cc1nc(C=C)nc(C=C=C)n1
InChIInChI=1S/C11H9N3/c1-4-7-10-12-9(6-3)13-11(14-10)8-5-2/h6-8H,1-3H2
InChIKeyMKWUECFURDIHPM-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.11
Rot. Bonds3

About 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine

2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine (PubChem CID 156561861) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine
PubChem CID156561861
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine
SMILESC=C=Cc1nc(C=C)nc(C=C=C)n1
InChIInChI=1S/C11H9N3/c1-4-7-10-12-9(6-3)13-11(14-10)8-5-2/h6-8H,1-3H2
InChIKeyMKWUECFURDIHPM-UHFFFAOYSA-N
XLogP2.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine?
The IUPAC name of 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine (CID 156561861) is 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine?
The canonical SMILES for 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine is C=C=Cc1nc(C=C)nc(C=C=C)n1.
What is the InChIKey of 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine?
The InChIKey is MKWUECFURDIHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-4-7-10-12-9(6-3)13-11(14-10)8-5-2/h6-8H,1-3H2.
What are the key properties of 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine?
2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine has a molecular weight of 183.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,6-bis(propa-1,2-dienyl)-1,3,5-triazine is sourced from PubChem (CID 156561861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).