2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine

C15H19N3 — CID 167038349

IUPAC2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CCCC(C2NCN=C(C3C=CC=CC3)N2)=C1
InChIInChI=1S/C15H19N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1-5,7,9,12,15,17H,6,8,10-11H2,(H,16,18)
InChIKeyLWHBHXMQNBHQFH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.27
Rot. Bonds2

About 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 167038349) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID167038349
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CCCC(C2NCN=C(C3C=CC=CC3)N2)=C1
InChIInChI=1S/C15H19N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1-5,7,9,12,15,17H,6,8,10-11H2,(H,16,18)
InChIKeyLWHBHXMQNBHQFH-UHFFFAOYSA-N
XLogP2.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 167038349) is 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine is C1=CCCC(C2NCN=C(C3C=CC=CC3)N2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is LWHBHXMQNBHQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13/h1-5,7,9,12,15,17H,6,8,10-11H2,(H,16,18).
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 241.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 167038349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).