2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine

C11H7Cl2N3 — CID 123473895

IUPAC2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(C2=CC=CC=CC=C2)n1
InChIInChI=1S/C11H7Cl2N3/c12-10-14-9(15-11(13)16-10)8-6-4-2-1-3-5-7-8/h1-7H
InChIKeyAEJSFUOUVCCUKH-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.24
Rot. Bonds1

About 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine

2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine (PubChem CID 123473895) has the molecular formula C11H7Cl2N3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine
PubChem CID123473895
Molecular FormulaC11H7Cl2N3
Molecular Weight252.10 g/mol
Exact Mass251.00
IUPAC Name2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(C2=CC=CC=CC=C2)n1
InChIInChI=1S/C11H7Cl2N3/c12-10-14-9(15-11(13)16-10)8-6-4-2-1-3-5-7-8/h1-7H
InChIKeyAEJSFUOUVCCUKH-UHFFFAOYSA-N
XLogP3.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine (CID 123473895) is 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine is Clc1nc(Cl)nc(C2=CC=CC=CC=C2)n1.
What is the InChIKey of 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine?
The InChIKey is AEJSFUOUVCCUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3/c12-10-14-9(15-11(13)16-10)8-6-4-2-1-3-5-7-8/h1-7H.
What are the key properties of 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine?
2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine has a molecular weight of 252.10 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(cyclooctatetraenyl)-1,3,5-triazine is sourced from PubChem (CID 123473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).