4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate

C9H15BF4N4O3 — CID 44558575

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate
SMILESCOc1nc(OC)nc([NH+]2CCOCC2)n1.F[B-](F)(F)F
InChIInChI=1S/C9H14N4O3.BF4/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13;2-1(3,4)5/h3-6H2,1-2H3;/q;-1/p+1
InChIKeyYVIFITBSOZRFGV-UHFFFAOYSA-O
MW314.05 g/mol
LogP-0.26
Rot. Bonds3

About 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate (PubChem CID 44558575) has the molecular formula C9H15BF4N4O3 and a molecular weight of 314.05 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate
PubChem CID44558575
Molecular FormulaC9H15BF4N4O3
Molecular Weight314.05 g/mol
Exact Mass314.12
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate
SMILESCOc1nc(OC)nc([NH+]2CCOCC2)n1.F[B-](F)(F)F
InChIInChI=1S/C9H14N4O3.BF4/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13;2-1(3,4)5/h3-6H2,1-2H3;/q;-1/p+1
InChIKeyYVIFITBSOZRFGV-UHFFFAOYSA-O
XLogP-0.26
TPSA70.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.05
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412
N-methyl-4-(4-morpholinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
s-Triazine, 2,4-bis(methylamino)-6-morpholino-, hydrochloride
CID 204413
{[4-(Ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1826754
4-fluoro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 14690828
Ethyl[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]cyanamide
CID 2986617
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
CID 11631268
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507
N-methyl-N-{4-(4-morpholinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-yl}amine
CID 3435092
4-Chloro-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 62869364

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate (CID 44558575) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate is COc1nc(OC)nc([NH+]2CCOCC2)n1.F[B-](F)(F)F.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate?
The InChIKey is YVIFITBSOZRFGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N4O3.BF4/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13;2-1(3,4)5/h3-6H2,1-2H3;/q;-1/p+1.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate has a molecular weight of 314.05 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate is sourced from PubChem (CID 44558575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).