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

C10H19N4O3+ — CID 66916511

IUPAC4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium
SMILESCOC1N=C([N+]2(C)CCOCC2)N=CN1OC
InChIInChI=1S/C10H19N4O3/c1-14(4-6-17-7-5-14)9-11-8-13(16-3)10(12-9)15-2/h8,10H,4-7H2,1-3H3/q+1
InChIKeyWYCJDLKJWDKXBD-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.35
Rot. Bonds2

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

4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium (PubChem CID 66916511) has the molecular formula C10H19N4O3+ and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium
PubChem CID66916511
Molecular FormulaC10H19N4O3+
Molecular Weight243.29 g/mol
Exact Mass243.15
IUPAC Name4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium
SMILESCOC1N=C([N+]2(C)CCOCC2)N=CN1OC
InChIInChI=1S/C10H19N4O3/c1-14(4-6-17-7-5-14)9-11-8-13(16-3)10(12-9)15-2/h8,10H,4-7H2,1-3H3/q+1
InChIKeyWYCJDLKJWDKXBD-UHFFFAOYSA-N
XLogP-0.35
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.35
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-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium (CID 66916511) is 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium is COC1N=C([N+]2(C)CCOCC2)N=CN1OC.
What is the InChIKey of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium?
The InChIKey is WYCJDLKJWDKXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N4O3/c1-14(4-6-17-7-5-14)9-11-8-13(16-3)10(12-9)15-2/h8,10H,4-7H2,1-3H3/q+1.
What are the key properties of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium?
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium has a molecular weight of 243.29 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 66916511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).