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

C11H20ClN5O2 — CID 11335249

IUPAC(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
SMILESCOc1nc(N2CCOCC2)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C11H20N5O2.ClH/c1-16(2,3)10-12-9(13-11(14-10)17-4)15-5-7-18-8-6-15;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyASHVKCISTBGYES-UHFFFAOYSA-M
MW289.77 g/mol
LogP-3.08
Rot. Bonds3

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

(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride (PubChem CID 11335249) has the molecular formula C11H20ClN5O2 and a molecular weight of 289.77 g/mol. Its IUPAC name is (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride.

Molecular Properties

Compound Name(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
PubChem CID11335249
Molecular FormulaC11H20ClN5O2
Molecular Weight289.77 g/mol
Exact Mass289.13
IUPAC Name(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
SMILESCOc1nc(N2CCOCC2)nc([N+](C)(C)C)n1.[Cl-]
InChIInChI=1S/C11H20N5O2.ClH/c1-16(2,3)10-12-9(13-11(14-10)17-4)15-5-7-18-8-6-15;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyASHVKCISTBGYES-UHFFFAOYSA-M
XLogP-3.08
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 5-3.08
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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Related Compounds

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
CID 4550609
trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride
CID 11270270
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
CID 50956205
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The IUPAC name of (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride (CID 11335249) is (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride.
What is the SMILES notation for (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The canonical SMILES for (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride is COc1nc(N2CCOCC2)nc([N+](C)(C)C)n1.[Cl-].
What is the InChIKey of (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
The InChIKey is ASHVKCISTBGYES-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20N5O2.ClH/c1-16(2,3)10-12-9(13-11(14-10)17-4)15-5-7-18-8-6-15;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride?
(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride has a molecular weight of 289.77 g/mol, XLogP of -3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride is sourced from PubChem (CID 11335249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).