2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine

C15H15N3 — CID 129200532

IUPAC2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
SMILESC1=CCC(c2ncnc(C3=CCCC=C3)n2)C=C1
InChIInChI=1S/C15H15N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1,3-5,7,9-12H,2,6,8H2
InChIKeyJQRCWOHVTTVOPV-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.20
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine (PubChem CID 129200532) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
PubChem CID129200532
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine
SMILESC1=CCC(c2ncnc(C3=CCCC=C3)n2)C=C1
InChIInChI=1S/C15H15N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1,3-5,7,9-12H,2,6,8H2
InChIKeyJQRCWOHVTTVOPV-UHFFFAOYSA-N
XLogP3.20
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine (CID 129200532) is 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine is C1=CCC(c2ncnc(C3=CCCC=C3)n2)C=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
The InChIKey is JQRCWOHVTTVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1,3-5,7,9-12H,2,6,8H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine has a molecular weight of 237.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-1,3,5-triazine is sourced from PubChem (CID 129200532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).