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

C8H9Cl2N3O — CID 154257740

IUPAC2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine
SMILESCCCC=COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H9Cl2N3O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h4-5H,2-3H2,1H3
InChIKeyBUUPULLDRZSSOG-UHFFFAOYSA-N
MW234.09 g/mol
LogP2.87
Rot. Bonds4

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

2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine (PubChem CID 154257740) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine
PubChem CID154257740
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine
SMILESCCCC=COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H9Cl2N3O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h4-5H,2-3H2,1H3
InChIKeyBUUPULLDRZSSOG-UHFFFAOYSA-N
XLogP2.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 52.87
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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Related Compounds

2-[(E)-but-1-enoxy]-4,6-dichloro-1,3,5-triazine
CID 20321388
2,4,6-tris[(E)-prop-1-enoxy]-1,3,5-triazine
CID 21225420
2,4,6-Tris(pent-1-enoxy)-1,3,5-triazine
CID 54157008
2,4,6-Tris(prop-1-enoxy)-1,3,5-triazine
CID 54557391
2-But-3-enoxy-4,6-dichloro-1,3,5-triazine
CID 62859572
2,4,6-Tris(hex-1-enoxy)-1,3,5-triazine
CID 67446141
2-But-1-enoxy-4,6-dichloro-1,3,5-triazine
CID 73676226
2,4,6-tris[(E)-but-1-enoxy]-1,3,5-triazine
CID 139978657
2,4,6-tris[(E)-hex-1-enoxy]-1,3,5-triazine
CID 140570082
2,4-Dichloro-6-prop-1-enoxy-1,3,5-triazine
CID 155664141
2,4-Dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine
CID 173448509
2,4-Dichloro-6-(3-methylbut-1-enoxy)-1,3,5-triazine
CID 173448510

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine (CID 154257740) is 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine is CCCC=COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine?
The InChIKey is BUUPULLDRZSSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h4-5H,2-3H2,1H3.
What are the key properties of 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine?
2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine has a molecular weight of 234.09 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-pent-1-enoxy-1,3,5-triazine is sourced from PubChem (CID 154257740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).