1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

C14H19N3O5 — CID 20512032

IUPAC1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC2OC2C)c(=O)n(CC2OC2C)c1=O
InChIInChI=1S/C14H19N3O5/c1-4-5-15-12(18)16(6-10-8(2)21-10)14(20)17(13(15)19)7-11-9(3)22-11/h4,8-11H,1,5-7H2,2-3H3
InChIKeyIGEZOIQLZVFQJS-UHFFFAOYSA-N
MW309.32 g/mol
LogP-1.07
Rot. Bonds6

About 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 20512032) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
PubChem CID20512032
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC2OC2C)c(=O)n(CC2OC2C)c1=O
InChIInChI=1S/C14H19N3O5/c1-4-5-15-12(18)16(6-10-8(2)21-10)14(20)17(13(15)19)7-11-9(3)22-11/h4,8-11H,1,5-7H2,2-3H3
InChIKeyIGEZOIQLZVFQJS-UHFFFAOYSA-N
XLogP-1.07
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (CID 20512032) is 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC2OC2C)c(=O)n(CC2OC2C)c1=O.
What is the InChIKey of 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is IGEZOIQLZVFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-4-5-15-12(18)16(6-10-8(2)21-10)14(20)17(13(15)19)7-11-9(3)22-11/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 309.32 g/mol, XLogP of -1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3-methyloxiran-2-yl)methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20512032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).