4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine

C11H15ClN4O2 — CID 76951032

IUPAC4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
SMILESCC=CCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H15ClN4O2/c1-2-3-6-18-11-14-9(12)13-10(15-11)16-4-7-17-8-5-16/h2-3H,4-8H2,1H3
InChIKeyUQIWAQMLDIIIMY-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.32
Rot. Bonds4

About 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine

4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine (PubChem CID 76951032) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
PubChem CID76951032
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
SMILESCC=CCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H15ClN4O2/c1-2-3-6-18-11-14-9(12)13-10(15-11)16-4-7-17-8-5-16/h2-3H,4-8H2,1H3
InChIKeyUQIWAQMLDIIIMY-UHFFFAOYSA-N
XLogP1.32
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine (CID 76951032) is 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine is CC=CCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
The InChIKey is UQIWAQMLDIIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-3-6-18-11-14-9(12)13-10(15-11)16-4-7-17-8-5-16/h2-3H,4-8H2,1H3.
What are the key properties of 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine?
4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine has a molecular weight of 270.72 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 76951032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).