1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione

C15H25N5O5 — CID 54308965

IUPAC1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCN1C(=O)N(CC)C1=O.CCn1c(=O)n(CC)c(=O)n(CC)c1=O
InChIInChI=1S/C9H15N3O3.C6H10N2O2/c1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14;1-3-7-5(9)8(4-2)6(7)10/h4-6H2,1-3H3;3-4H2,1-2H3
InChIKeySJNSMKOZJBXEOR-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.12
Rot. Bonds5

About 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione

1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 54308965) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID54308965
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione
SMILESCCN1C(=O)N(CC)C1=O.CCn1c(=O)n(CC)c(=O)n(CC)c1=O
InChIInChI=1S/C9H15N3O3.C6H10N2O2/c1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14;1-3-7-5(9)8(4-2)6(7)10/h4-6H2,1-3H3;3-4H2,1-2H3
InChIKeySJNSMKOZJBXEOR-UHFFFAOYSA-N
XLogP0.12
TPSA106.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,3,5-Triethyl-1,3,5-triazinane-2,4,6-trione
CID 10130566
1,3,5-Triethyl-1,3,5-triazinane-2,4-dione
CID 21574858
2,4-Dioxo-hexahydro-1,5-diethyl-3-methyl-s-triazine
CID 12397333
1,3,5-Triethyl-6-methyl-1,3,5-triazinane-2,4-dione
CID 23541484
1-(1-Isocyanatoethyl)-3,5-bis(isocyanatomethyl)-1,3,5-triazinane-2,4,6-trione
CID 54320083
1,3-Diethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 59728552
1-Ethyl-3,5-bis(isocyanatomethyl)-1,3,5-triazinane-2,4,6-trione
CID 60093473
1-[(3,5-Diethyl-2,4,6-trioxo-1,3,5-triazinan-1-yl)methyl]-3,5-diethyl-1,3,5-triazinane-2,4,6-trione
CID 60113923
1,3-Dimethyl-5-[6-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)hexyl]-1,3,5-triazinane-2,4,6-trione
CID 130217574
1,3-Dimethyl-5-[2-(3-methyl-2,4-dioxo-1,3-diazetidin-1-yl)ethyl]-1,3,5-triazinane-2,4,6-trione
CID 130458478
1,3,5-Tris(1-isocyanatoethyl)-1,3,5-triazinane-2,4,6-trione
CID 140293614
1-Ethyl-3,5-bis(isocyanatomethyl)-1,3,5-triazinane-2,4,6-trione;methane
CID 159494877

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione (CID 54308965) is 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione is CCN1C(=O)N(CC)C1=O.CCn1c(=O)n(CC)c(=O)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SJNSMKOZJBXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3.C6H10N2O2/c1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14;1-3-7-5(9)8(4-2)6(7)10/h4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione?
1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 355.40 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1,3-diazetidine-2,4-dione;1,3,5-triethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 54308965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).