2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine

C6H5Cl2N3O — CID 155664141

IUPAC2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine
SMILESCC=COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H,1H3
InChIKeyLSPJMYWXDZIQNX-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.09
Rot. Bonds2

About 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine

2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine (PubChem CID 155664141) has the molecular formula C6H5Cl2N3O and a molecular weight of 206.03 g/mol. Its IUPAC name is 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine
PubChem CID155664141
Molecular FormulaC6H5Cl2N3O
Molecular Weight206.03 g/mol
Exact Mass204.98
IUPAC Name2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine
SMILESCC=COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H,1H3
InChIKeyLSPJMYWXDZIQNX-UHFFFAOYSA-N
XLogP2.09
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine (CID 155664141) is 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine is CC=COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine?
The InChIKey is LSPJMYWXDZIQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H,1H3.
What are the key properties of 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine?
2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine has a molecular weight of 206.03 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-prop-1-enoxy-1,3,5-triazine is sourced from PubChem (CID 155664141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).