2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine

C7H7Cl2N3O — CID 10420994

IUPAC2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine
SMILESC/C=C/COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-3H,4H2,1H3/b3-2+
InChIKeyOKFUQSOTTGTHCL-NSCUHMNNSA-N
MW220.06 g/mol
LogP2.13
Rot. Bonds3

About 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine

2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine (PubChem CID 10420994) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine
PubChem CID10420994
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine
SMILESC/C=C/COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-3H,4H2,1H3/b3-2+
InChIKeyOKFUQSOTTGTHCL-NSCUHMNNSA-N
XLogP2.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine (CID 10420994) is 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine is C/C=C/COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine?
The InChIKey is OKFUQSOTTGTHCL-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-3H,4H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine?
2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine has a molecular weight of 220.06 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 10420994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).