(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride

C14H25ClN6O2 — CID 15890380

IUPAC(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
SMILESC[N+](C)(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.[Cl-]
InChIInChI=1S/C14H25N6O2.ClH/c1-20(2,3)14-16-12(18-4-8-21-9-5-18)15-13(17-14)19-6-10-22-11-7-19;/h4-11H2,1-3H3;1H/q+1;/p-1
InChIKeyUIZQKGTZNNWRGF-UHFFFAOYSA-M
MW344.85 g/mol
LogP-3.25
Rot. Bonds3

About (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride

(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride (PubChem CID 15890380) has the molecular formula C14H25ClN6O2 and a molecular weight of 344.85 g/mol. Its IUPAC name is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride.

Molecular Properties

Compound Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
PubChem CID15890380
Molecular FormulaC14H25ClN6O2
Molecular Weight344.85 g/mol
Exact Mass344.17
IUPAC Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
SMILESC[N+](C)(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.[Cl-]
InChIInChI=1S/C14H25N6O2.ClH/c1-20(2,3)14-16-12(18-4-8-21-9-5-18)15-13(17-14)19-6-10-22-11-7-19;/h4-11H2,1-3H3;1H/q+1;/p-1
InChIKeyUIZQKGTZNNWRGF-UHFFFAOYSA-M
XLogP-3.25
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The IUPAC name of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride (CID 15890380) is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride.
What is the SMILES notation for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The canonical SMILES for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride is C[N+](C)(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.[Cl-].
What is the InChIKey of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The InChIKey is UIZQKGTZNNWRGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H25N6O2.ClH/c1-20(2,3)14-16-12(18-4-8-21-9-5-18)15-13(17-14)19-6-10-22-11-7-19;/h4-11H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride has a molecular weight of 344.85 g/mol, XLogP of -3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride is sourced from PubChem (CID 15890380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).