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

C10H13ClN4O2 — CID 62868758

IUPAC4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine
SMILESC=CCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13ClN4O2/c1-2-5-17-10-13-8(11)12-9(14-10)15-3-6-16-7-4-15/h2H,1,3-7H2
InChIKeyKHAWHOUFCDKRIE-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.93
Rot. Bonds4

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

4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 62868758) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID62868758
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine
SMILESC=CCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13ClN4O2/c1-2-5-17-10-13-8(11)12-9(14-10)15-3-6-16-7-4-15/h2H,1,3-7H2
InChIKeyKHAWHOUFCDKRIE-UHFFFAOYSA-N
XLogP0.93
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.93
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-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine (CID 62868758) is 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine is C=CCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is KHAWHOUFCDKRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-2-5-17-10-13-8(11)12-9(14-10)15-3-6-16-7-4-15/h2H,1,3-7H2.
What are the key properties of 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 256.69 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 62868758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).