5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one

C9H19N3O3 — CID 20589004

IUPAC5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
SMILESCCN1CN(COC)C(=O)N(COC)C1
InChIInChI=1S/C9H19N3O3/c1-4-10-5-11(7-14-2)9(13)12(6-10)8-15-3/h4-8H2,1-3H3
InChIKeyGTJBADKKFDEUJQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.17
Rot. Bonds5

About 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one

5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one (PubChem CID 20589004) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
PubChem CID20589004
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one
SMILESCCN1CN(COC)C(=O)N(COC)C1
InChIInChI=1S/C9H19N3O3/c1-4-10-5-11(7-14-2)9(13)12(6-10)8-15-3/h4-8H2,1-3H3
InChIKeyGTJBADKKFDEUJQ-UHFFFAOYSA-N
XLogP0.17
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one?
The IUPAC name of 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one (CID 20589004) is 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one.
What is the SMILES notation for 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one?
The canonical SMILES for 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one is CCN1CN(COC)C(=O)N(COC)C1.
What is the InChIKey of 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one?
The InChIKey is GTJBADKKFDEUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-4-10-5-11(7-14-2)9(13)12(6-10)8-15-3/h4-8H2,1-3H3.
What are the key properties of 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one?
5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one has a molecular weight of 217.27 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-bis(methoxymethyl)-1,3,5-triazinan-2-one is sourced from PubChem (CID 20589004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).