2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride

C11H19ClN4O2 — CID 141014851

IUPAC2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride
SMILESCCC1CC[NH+](c2nc(OC)nc(OC)n2)C1.[Cl-]
InChIInChI=1S/C11H18N4O2.ClH/c1-4-8-5-6-15(7-8)9-12-10(16-2)14-11(13-9)17-3;/h8H,4-7H2,1-3H3;1H
InChIKeyDACIUYYRTIZOGX-UHFFFAOYSA-N
MW274.75 g/mol
LogP-3.16
Rot. Bonds4

About 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride

2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride (PubChem CID 141014851) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride
PubChem CID141014851
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride
SMILESCCC1CC[NH+](c2nc(OC)nc(OC)n2)C1.[Cl-]
InChIInChI=1S/C11H18N4O2.ClH/c1-4-8-5-6-15(7-8)9-12-10(16-2)14-11(13-9)17-3;/h8H,4-7H2,1-3H3;1H
InChIKeyDACIUYYRTIZOGX-UHFFFAOYSA-N
XLogP-3.16
TPSA61.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride?
The IUPAC name of 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride (CID 141014851) is 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride is CCC1CC[NH+](c2nc(OC)nc(OC)n2)C1.[Cl-].
What is the InChIKey of 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride?
The InChIKey is DACIUYYRTIZOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-4-8-5-6-15(7-8)9-12-10(16-2)14-11(13-9)17-3;/h8H,4-7H2,1-3H3;1H.
What are the key properties of 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride?
2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride has a molecular weight of 274.75 g/mol, XLogP of -3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine chloride is sourced from PubChem (CID 141014851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).