4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium

C13H23N4O3+ — CID 18420048

IUPAC4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
SMILESCCOc1nc(OCC)nc([N+]2(CC)CCOCC2)n1
InChIInChI=1S/C13H23N4O3/c1-4-17(7-9-18-10-8-17)11-14-12(19-5-2)16-13(15-11)20-6-3/h4-10H2,1-3H3/q+1
InChIKeyZCRYDNROBQEOLT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.03
Rot. Bonds6

About 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium

4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium (PubChem CID 18420048) has the molecular formula C13H23N4O3+ and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium.

Molecular Properties

Compound Name4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
PubChem CID18420048
Molecular FormulaC13H23N4O3+
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
SMILESCCOc1nc(OCC)nc([N+]2(CC)CCOCC2)n1
InChIInChI=1S/C13H23N4O3/c1-4-17(7-9-18-10-8-17)11-14-12(19-5-2)16-13(15-11)20-6-3/h4-10H2,1-3H3/q+1
InChIKeyZCRYDNROBQEOLT-UHFFFAOYSA-N
XLogP1.03
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.03
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-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The IUPAC name of 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium (CID 18420048) is 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium.
What is the SMILES notation for 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The canonical SMILES for 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium is CCOc1nc(OCC)nc([N+]2(CC)CCOCC2)n1.
What is the InChIKey of 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The InChIKey is ZCRYDNROBQEOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N4O3/c1-4-17(7-9-18-10-8-17)11-14-12(19-5-2)16-13(15-11)20-6-3/h4-10H2,1-3H3/q+1.
What are the key properties of 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium has a molecular weight of 283.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium is sourced from PubChem (CID 18420048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).