4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate

C11H19ClN4O7 — CID 18420026

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate
SMILESCC[N+]1(c2nc(OC)nc(OC)n2)CCOCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H19N4O3.ClHO4/c1-4-15(5-7-18-8-6-15)9-12-10(16-2)14-11(13-9)17-3;2-1(3,4)5/h4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyUMDDKJSHNUSYOL-UHFFFAOYSA-M
MW354.75 g/mol
LogP-4.51
Rot. Bonds4

About 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate (PubChem CID 18420026) has the molecular formula C11H19ClN4O7 and a molecular weight of 354.75 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate
PubChem CID18420026
Molecular FormulaC11H19ClN4O7
Molecular Weight354.75 g/mol
Exact Mass354.09
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate
SMILESCC[N+]1(c2nc(OC)nc(OC)n2)CCOCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C11H19N4O3.ClHO4/c1-4-15(5-7-18-8-6-15)9-12-10(16-2)14-11(13-9)17-3;2-1(3,4)5/h4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyUMDDKJSHNUSYOL-UHFFFAOYSA-M
XLogP-4.51
TPSA158.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 5-4.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate (CID 18420026) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate is CC[N+]1(c2nc(OC)nc(OC)n2)CCOCC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate?
The InChIKey is UMDDKJSHNUSYOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19N4O3.ClHO4/c1-4-15(5-7-18-8-6-15)9-12-10(16-2)14-11(13-9)17-3;2-1(3,4)5/h4-8H2,1-3H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate has a molecular weight of 354.75 g/mol, XLogP of -4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium perchlorate is sourced from PubChem (CID 18420026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).