1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione

C7H11N3O3 — CID 59069006

IUPAC1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O3/c1-4-10-6(12)8(2)5(11)9(3)7(10)13/h4H2,1-3H3
InChIKeyUFHWOZFHMVTSNJ-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.73
Rot. Bonds1

About 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione

1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 59069006) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID59069006
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCn1c(=O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O3/c1-4-10-6(12)8(2)5(11)9(3)7(10)13/h4H2,1-3H3
InChIKeyUFHWOZFHMVTSNJ-UHFFFAOYSA-N
XLogP-1.73
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione (CID 59069006) is 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione is CCn1c(=O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is UFHWOZFHMVTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-10-6(12)8(2)5(11)9(3)7(10)13/h4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione?
1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 185.18 g/mol, XLogP of -1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 59069006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).