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

C10H17ClN4O7 — CID 18420064

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate
SMILESCOc1nc(OC)nc([N+]2(C)CCOCC2)n1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H17N4O3.ClHO4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWZGYAXKPAZGGKC-UHFFFAOYSA-M
MW340.72 g/mol
LogP-4.90
Rot. Bonds3

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

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate (PubChem CID 18420064) has the molecular formula C10H17ClN4O7 and a molecular weight of 340.72 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate
PubChem CID18420064
Molecular FormulaC10H17ClN4O7
Molecular Weight340.72 g/mol
Exact Mass340.08
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate
SMILESCOc1nc(OC)nc([N+]2(C)CCOCC2)n1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H17N4O3.ClHO4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWZGYAXKPAZGGKC-UHFFFAOYSA-M
XLogP-4.90
TPSA158.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.72
LogP ≤ 5-4.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate (CID 18420064) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate is COc1nc(OC)nc([N+]2(C)CCOCC2)n1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate?
The InChIKey is WZGYAXKPAZGGKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17N4O3.ClHO4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;(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-methylmorpholin-4-ium perchlorate?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium perchlorate has a molecular weight of 340.72 g/mol, XLogP of -4.90, 3 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-methylmorpholin-4-ium perchlorate is sourced from PubChem (CID 18420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).