1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione

C7H11N3O3 — CID 139515723

IUPAC1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
SMILESCN1CC(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H11N3O3/c1-8-4-5(11)9(2)7(13)10(3)6(8)12/h4H2,1-3H3
InChIKeyRJTATQJXDQVDOX-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.44
Rot. Bonds

About 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione

1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione (PubChem CID 139515723) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
PubChem CID139515723
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
SMILESCN1CC(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H11N3O3/c1-8-4-5(11)9(2)7(13)10(3)6(8)12/h4H2,1-3H3
InChIKeyRJTATQJXDQVDOX-UHFFFAOYSA-N
XLogP-0.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione?
The IUPAC name of 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione (CID 139515723) is 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione.
What is the SMILES notation for 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione?
The canonical SMILES for 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione is CN1CC(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione?
The InChIKey is RJTATQJXDQVDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-8-4-5(11)9(2)7(13)10(3)6(8)12/h4H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione?
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione has a molecular weight of 185.18 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione is sourced from PubChem (CID 139515723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).