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

C10H19ClN4O3 — CID 68925000

IUPAC4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
SMILESCOC1N=C([N+]2(C)CCOCC2)N=CN1OC.[Cl-]
InChIInChI=1S/C10H19N4O3.ClH/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;1H/q+1;/p-1
InChIKeyCTQHNHKWMORZCE-UHFFFAOYSA-M
MW278.74 g/mol
LogP-3.34
Rot. Bonds2

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

4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride (PubChem CID 68925000) has the molecular formula C10H19ClN4O3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
PubChem CID68925000
Molecular FormulaC10H19ClN4O3
Molecular Weight278.74 g/mol
Exact Mass278.11
IUPAC Name4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
SMILESCOC1N=C([N+]2(C)CCOCC2)N=CN1OC.[Cl-]
InChIInChI=1S/C10H19N4O3.ClH/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;1H/q+1;/p-1
InChIKeyCTQHNHKWMORZCE-UHFFFAOYSA-M
XLogP-3.34
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 5-3.34
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-(2,6-dimethoxy-3-methyl-2H-1,3,5-triazin-4-yl)morpholine
CID 90931072
CID 58852840
CID 58852840
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium;hydrochloride
CID 66916510
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium
CID 66916511
4-(1,3-Dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride
CID 67382887
4-(1,3-Dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium
CID 67382888
4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride
CID 69233302
4-(1-chloro-4,6-dimethoxy-2H-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
CID 87496890
4-(4,5-dimethoxy-2H-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium chloride
CID 126713442
4-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
CID 126713444
N'-ethyl-N-methylidenemorpholine-4-carboximidamide
CID 132037539
3,4-dimethoxy-4-(2H-1,3,5-triazin-1-ylmethyl)morpholin-4-ium
CID 152505898

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
The IUPAC name of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride (CID 68925000) is 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride.
What is the SMILES notation for 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
The canonical SMILES for 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride is COC1N=C([N+]2(C)CCOCC2)N=CN1OC.[Cl-].
What is the InChIKey of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
The InChIKey is CTQHNHKWMORZCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N4O3.ClH/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;1H/q+1;/p-1.
What are the key properties of 4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride?
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride has a molecular weight of 278.74 g/mol, XLogP of -3.34, 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 chloride is sourced from PubChem (CID 68925000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).