4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium

C14H25N4O3+ — CID 18420025

IUPAC4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
SMILESCCCOc1nc(OCCC)nc([N+]2(C)CCOCC2)n1
InChIInChI=1S/C14H25N4O3/c1-4-8-20-13-15-12(16-14(17-13)21-9-5-2)18(3)6-10-19-11-7-18/h4-11H2,1-3H3/q+1
InChIKeyFCNGHPLZFGEMMB-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.42
Rot. Bonds7

About 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium

4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium (PubChem CID 18420025) has the molecular formula C14H25N4O3+ and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
PubChem CID18420025
Molecular FormulaC14H25N4O3+
Molecular Weight297.38 g/mol
Exact Mass297.19
IUPAC Name4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
SMILESCCCOc1nc(OCCC)nc([N+]2(C)CCOCC2)n1
InChIInChI=1S/C14H25N4O3/c1-4-8-20-13-15-12(16-14(17-13)21-9-5-2)18(3)6-10-19-11-7-18/h4-11H2,1-3H3/q+1
InChIKeyFCNGHPLZFGEMMB-UHFFFAOYSA-N
XLogP1.42
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium (CID 18420025) is 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium is CCCOc1nc(OCCC)nc([N+]2(C)CCOCC2)n1.
What is the InChIKey of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
The InChIKey is FCNGHPLZFGEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N4O3/c1-4-8-20-13-15-12(16-14(17-13)21-9-5-2)18(3)6-10-19-11-7-18/h4-11H2,1-3H3/q+1.
What are the key properties of 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium has a molecular weight of 297.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dipropoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 18420025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).