5-ethenyl-4,6-bis(trichloromethyl)triazine

C7H3Cl6N3 — CID 22472353

IUPAC5-ethenyl-4,6-bis(trichloromethyl)triazine
SMILESC=Cc1c(C(Cl)(Cl)Cl)nnnc1C(Cl)(Cl)Cl
InChIInChI=1S/C7H3Cl6N3/c1-2-3-4(6(8,9)10)14-16-15-5(3)7(11,12)13/h2H,1H2
InChIKeyAHOXIUQSJACZJC-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.17
Rot. Bonds1

About 5-ethenyl-4,6-bis(trichloromethyl)triazine

5-ethenyl-4,6-bis(trichloromethyl)triazine (PubChem CID 22472353) has the molecular formula C7H3Cl6N3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-ethenyl-4,6-bis(trichloromethyl)triazine.

Molecular Properties

Compound Name5-ethenyl-4,6-bis(trichloromethyl)triazine
PubChem CID22472353
Molecular FormulaC7H3Cl6N3
Molecular Weight341.84 g/mol
Exact Mass338.85
IUPAC Name5-ethenyl-4,6-bis(trichloromethyl)triazine
SMILESC=Cc1c(C(Cl)(Cl)Cl)nnnc1C(Cl)(Cl)Cl
InChIInChI=1S/C7H3Cl6N3/c1-2-3-4(6(8,9)10)14-16-15-5(3)7(11,12)13/h2H,1H2
InChIKeyAHOXIUQSJACZJC-UHFFFAOYSA-N
XLogP4.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4,6-bis(trichloromethyl)triazine?
The IUPAC name of 5-ethenyl-4,6-bis(trichloromethyl)triazine (CID 22472353) is 5-ethenyl-4,6-bis(trichloromethyl)triazine.
What is the SMILES notation for 5-ethenyl-4,6-bis(trichloromethyl)triazine?
The canonical SMILES for 5-ethenyl-4,6-bis(trichloromethyl)triazine is C=Cc1c(C(Cl)(Cl)Cl)nnnc1C(Cl)(Cl)Cl.
What is the InChIKey of 5-ethenyl-4,6-bis(trichloromethyl)triazine?
The InChIKey is AHOXIUQSJACZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl6N3/c1-2-3-4(6(8,9)10)14-16-15-5(3)7(11,12)13/h2H,1H2.
What are the key properties of 5-ethenyl-4,6-bis(trichloromethyl)triazine?
5-ethenyl-4,6-bis(trichloromethyl)triazine has a molecular weight of 341.84 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,6-bis(trichloromethyl)triazine is sourced from PubChem (CID 22472353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).