1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione

C9H15N3O3 — CID 71358039

IUPAC1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
SMILESCN1CC(=O)N(C)CC(=O)N(C)CC1=O
InChIInChI=1S/C9H15N3O3/c1-10-4-8(14)12(3)6-9(15)11(2)5-7(10)13/h4-6H2,1-3H3
InChIKeyNYOMGJJEWQWXHY-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.62
Rot. Bonds

About 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione

1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione (PubChem CID 71358039) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione.

Molecular Properties

Compound Name1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
PubChem CID71358039
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
SMILESCN1CC(=O)N(C)CC(=O)N(C)CC1=O
InChIInChI=1S/C9H15N3O3/c1-10-4-8(14)12(3)6-9(15)11(2)5-7(10)13/h4-6H2,1-3H3
InChIKeyNYOMGJJEWQWXHY-UHFFFAOYSA-N
XLogP-1.62
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-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 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione?
The IUPAC name of 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione (CID 71358039) is 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione.
What is the SMILES notation for 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione?
The canonical SMILES for 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione is CN1CC(=O)N(C)CC(=O)N(C)CC1=O.
What is the InChIKey of 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione?
The InChIKey is NYOMGJJEWQWXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-10-4-8(14)12(3)6-9(15)11(2)5-7(10)13/h4-6H2,1-3H3.
What are the key properties of 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione?
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione has a molecular weight of 213.24 g/mol, XLogP of -1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione is sourced from PubChem (CID 71358039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).