1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione

C6H9N3O2 — CID 89263428

IUPAC1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)N1CC
InChIInChI=1S/C6H9N3O2/c1-3-9-4(2)7-5(10)8-6(9)11/h2-3H2,1H3,(H2,7,8,10,11)
InChIKeyDDAAMFGITFQLQH-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.21
Rot. Bonds1

About 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione

1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione (PubChem CID 89263428) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione
PubChem CID89263428
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione
SMILESC=C1NC(=O)NC(=O)N1CC
InChIInChI=1S/C6H9N3O2/c1-3-9-4(2)7-5(10)8-6(9)11/h2-3H2,1H3,(H2,7,8,10,11)
InChIKeyDDAAMFGITFQLQH-UHFFFAOYSA-N
XLogP0.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Bis(ethenyl)-1,3,5-triazinane-2,4,6-trione
CID 139664502
1-Ethyl-1,3,5-triazinane-2,4,6-trione
CID 35514
1,3,5-Trimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 12384657
1,3-Diethyl-1,3,5-triazinane-2,4,6-trione
CID 12405270
1-Ethyl-1,3,5-triazinane-2,4-dione
CID 13248199
1-Propyl-1,3,5-triazinane-2,4,6-trione
CID 23296807
6-(Dimethylamino)-3-ethyl-1,3,5-triazinane-2,4-dione
CID 23338133
1-Ethenyl-1,3,5-triazinane-2,4,6-trione
CID 23513449
6-Methylidene-1-propan-2-yl-1,3,5-triazinane-2,4-dione
CID 58331465
1,3-Dimethyl-6-methylidene-1,3,5-triazinane-2,4-dione
CID 60079434
1,3-Bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
CID 89104911
1-Ethyl-3-methyl-1,3,5-triazinane-2,4,6-trione
CID 89243856

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione (CID 89263428) is 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione is C=C1NC(=O)NC(=O)N1CC.
What is the InChIKey of 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
The InChIKey is DDAAMFGITFQLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-9-4(2)7-5(10)8-6(9)11/h2-3H2,1H3,(H2,7,8,10,11).
What are the key properties of 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione?
1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione has a molecular weight of 155.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylidene-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 89263428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).