2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine

C9H12ClN3O2 — CID 76950863

IUPAC2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
SMILESCC=CCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C9H12ClN3O2/c1-3-5-6-15-9-12-7(10)11-8(13-9)14-4-2/h3,5H,4,6H2,1-2H3
InChIKeyLPLDVGJRCNFOCG-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.88
Rot. Bonds5

About 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine

2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine (PubChem CID 76950863) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
PubChem CID76950863
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine
SMILESCC=CCOc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C9H12ClN3O2/c1-3-5-6-15-9-12-7(10)11-8(13-9)14-4-2/h3,5H,4,6H2,1-2H3
InChIKeyLPLDVGJRCNFOCG-UHFFFAOYSA-N
XLogP1.88
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine (CID 76950863) is 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine is CC=CCOc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine?
The InChIKey is LPLDVGJRCNFOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-3-5-6-15-9-12-7(10)11-8(13-9)14-4-2/h3,5H,4,6H2,1-2H3.
What are the key properties of 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine?
2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine has a molecular weight of 229.67 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-4-chloro-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 76950863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).