1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione

C12H19N3O6 — CID 20820376

IUPAC1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCOC)c(=O)n(CC(C)=O)c1=O
InChIInChI=1S/C12H19N3O6/c1-9(16)8-15-11(18)13(4-6-20-2)10(17)14(12(15)19)5-7-21-3/h4-8H2,1-3H3
InChIKeyFMXHFTKVBNIWQX-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.95
Rot. Bonds8

About 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 20820376) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID20820376
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOCCn1c(=O)n(CCOC)c(=O)n(CC(C)=O)c1=O
InChIInChI=1S/C12H19N3O6/c1-9(16)8-15-11(18)13(4-6-20-2)10(17)14(12(15)19)5-7-21-3/h4-8H2,1-3H3
InChIKeyFMXHFTKVBNIWQX-UHFFFAOYSA-N
XLogP-1.95
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione (CID 20820376) is 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione is COCCn1c(=O)n(CCOC)c(=O)n(CC(C)=O)c1=O.
What is the InChIKey of 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FMXHFTKVBNIWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-9(16)8-15-11(18)13(4-6-20-2)10(17)14(12(15)19)5-7-21-3/h4-8H2,1-3H3.
What are the key properties of 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 301.30 g/mol, XLogP of -1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyethyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20820376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).