2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine

C18H15N3 — CID 123394077

IUPAC2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine
SMILESCc1nc(C2=CC=C=CC=C2)nc(C2=CC=CCC=C2)n1
InChIInChI=1S/C18H15N3/c1-14-19-17(15-10-6-2-3-7-11-15)21-18(20-14)16-12-8-4-5-9-13-16/h2,4,6-13H,3H2,1H3
InChIKeyRAQFBSRZTHQAEH-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.74
Rot. Bonds2

About 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine

2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine (PubChem CID 123394077) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine
PubChem CID123394077
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine
SMILESCc1nc(C2=CC=C=CC=C2)nc(C2=CC=CCC=C2)n1
InChIInChI=1S/C18H15N3/c1-14-19-17(15-10-6-2-3-7-11-15)21-18(20-14)16-12-8-4-5-9-13-16/h2,4,6-13H,3H2,1H3
InChIKeyRAQFBSRZTHQAEH-UHFFFAOYSA-N
XLogP3.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine?
The IUPAC name of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine (CID 123394077) is 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine is Cc1nc(C2=CC=C=CC=C2)nc(C2=CC=CCC=C2)n1.
What is the InChIKey of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine?
The InChIKey is RAQFBSRZTHQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-14-19-17(15-10-6-2-3-7-11-15)21-18(20-14)16-12-8-4-5-9-13-16/h2,4,6-13H,3H2,1H3.
What are the key properties of 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine?
2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine has a molecular weight of 273.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,4,6-tetraen-1-yl-4-cyclohepta-1,3,6-trien-1-yl-6-methyl-1,3,5-triazine is sourced from PubChem (CID 123394077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).