(4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium

C11H21N4O3+ — CID 142357381

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium
SMILESCCCOCC[NH+](C)c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-5-7-18-8-6-15(2)9-12-10(16-3)14-11(13-9)17-4/h5-8H2,1-4H3/p+1
InChIKeyFRBAPDGQVOEWTJ-UHFFFAOYSA-O
MW257.31 g/mol
LogP-0.54
Rot. Bonds8

About (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium

(4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium (PubChem CID 142357381) has the molecular formula C11H21N4O3+ and a molecular weight of 257.31 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium
PubChem CID142357381
Molecular FormulaC11H21N4O3+
Molecular Weight257.31 g/mol
Exact Mass257.16
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium
SMILESCCCOCC[NH+](C)c1nc(OC)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-5-7-18-8-6-15(2)9-12-10(16-3)14-11(13-9)17-4/h5-8H2,1-4H3/p+1
InChIKeyFRBAPDGQVOEWTJ-UHFFFAOYSA-O
XLogP-0.54
TPSA70.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium (CID 142357381) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium is CCCOCC[NH+](C)c1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium?
The InChIKey is FRBAPDGQVOEWTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N4O3/c1-5-7-18-8-6-15(2)9-12-10(16-3)14-11(13-9)17-4/h5-8H2,1-4H3/p+1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium has a molecular weight of 257.31 g/mol, XLogP of -0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)-methyl-(2-propoxyethyl)azanium is sourced from PubChem (CID 142357381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).