4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride

C10H19ClN4O3 — CID 126713444

IUPAC4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
SMILESCOC1=NC([N+]2(C)CCOCC2)=NCN1OC.[Cl-]
InChIInChI=1S/C10H19N4O3.ClH/c1-14(4-6-17-7-5-14)9-11-8-13(16-3)10(12-9)15-2;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyLTCAUNFISJVBIW-UHFFFAOYSA-M
MW278.74 g/mol
LogP-3.34
Rot. Bonds1

About 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride

4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride (PubChem CID 126713444) has the molecular formula C10H19ClN4O3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
PubChem CID126713444
Molecular FormulaC10H19ClN4O3
Molecular Weight278.74 g/mol
Exact Mass278.11
IUPAC Name4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
SMILESCOC1=NC([N+]2(C)CCOCC2)=NCN1OC.[Cl-]
InChIInChI=1S/C10H19N4O3.ClH/c1-14(4-6-17-7-5-14)9-11-8-13(16-3)10(12-9)15-2;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyLTCAUNFISJVBIW-UHFFFAOYSA-M
XLogP-3.34
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 5-3.34
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-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
The IUPAC name of 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride (CID 126713444) is 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride.
What is the SMILES notation for 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
The canonical SMILES for 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride is COC1=NC([N+]2(C)CCOCC2)=NCN1OC.[Cl-].
What is the InChIKey of 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
The InChIKey is LTCAUNFISJVBIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N4O3.ClH/c1-14(4-6-17-7-5-14)9-11-8-13(16-3)10(12-9)15-2;/h4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride has a molecular weight of 278.74 g/mol, XLogP of -3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride is sourced from PubChem (CID 126713444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).