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

C10H21ClN4O3 — CID 67382887

IUPAC4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride
SMILESCON1CN=C([N+]2(C)CCOCC2)N(OC)C1.[Cl-]
InChIInChI=1S/C10H21N4O3.ClH/c1-14(4-6-17-7-5-14)10-11-8-12(15-2)9-13(10)16-3;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyPCZHHJTYBYSEQV-UHFFFAOYSA-M
MW280.76 g/mol
LogP-3.52
Rot. Bonds2

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

4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride (PubChem CID 67382887) has the molecular formula C10H21ClN4O3 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride
PubChem CID67382887
Molecular FormulaC10H21ClN4O3
Molecular Weight280.76 g/mol
Exact Mass280.13
IUPAC Name4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride
SMILESCON1CN=C([N+]2(C)CCOCC2)N(OC)C1.[Cl-]
InChIInChI=1S/C10H21N4O3.ClH/c1-14(4-6-17-7-5-14)10-11-8-12(15-2)9-13(10)16-3;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyPCZHHJTYBYSEQV-UHFFFAOYSA-M
XLogP-3.52
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 5-3.52
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-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride?
The IUPAC name of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride (CID 67382887) is 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride.
What is the SMILES notation for 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride?
The canonical SMILES for 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride is CON1CN=C([N+]2(C)CCOCC2)N(OC)C1.[Cl-].
What is the InChIKey of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride?
The InChIKey is PCZHHJTYBYSEQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N4O3.ClH/c1-14(4-6-17-7-5-14)10-11-8-12(15-2)9-13(10)16-3;/h4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride?
4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride has a molecular weight of 280.76 g/mol, XLogP of -3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride is sourced from PubChem (CID 67382887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).