ethene;1,3,5-triazinane-2,4,6-trione

C7H11N3O3 — CID 174213756

IUPACethene;1,3,5-triazinane-2,4,6-trione
SMILESC=C.C=C.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.2C2H4/c7-1-4-2(8)6-3(9)5-1;2*1-2/h(H3,4,5,6,7,8,9);2*1-2H2
InChIKeyVDPCNKFIAFLGJH-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.64
Rot. Bonds

About ethene;1,3,5-triazinane-2,4,6-trione

ethene;1,3,5-triazinane-2,4,6-trione (PubChem CID 174213756) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethene;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Nameethene;1,3,5-triazinane-2,4,6-trione
PubChem CID174213756
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Nameethene;1,3,5-triazinane-2,4,6-trione
SMILESC=C.C=C.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C3H3N3O3.2C2H4/c7-1-4-2(8)6-3(9)5-1;2*1-2/h(H3,4,5,6,7,8,9);2*1-2H2
InChIKeyVDPCNKFIAFLGJH-UHFFFAOYSA-N
XLogP-0.64
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 70452597
CID 70452597
selane;1,3,5-triazinane-2,4,6-trione
CID 174566623
sodium 1,3,5-triazinane-2,4,6-trione
CID 23617829
CID 70149619
CID 70149619
CID 24848861
CID 24848861
tris(1,3,5-triazinane-2,4,6-trione);trihydrochloride
CID 66629355
calcium;hydride;1,3,5-triazinane-2,4,6-trione;zinc
CID 174782538
sodium;hydride;1,3,5-triazinane-2,4,6-trione;dihydrate
CID 174706584
CID 67893681
CID 67893681
nitric acid;1,3,5-triazinane-2,4,6-trione
CID 174998101
1-(2-hydroxyprop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70483409
1-ethenyl-1,3,5-triazinane-2,4,6-trione
CID 23513449

Frequently Asked Questions

What is the IUPAC name of ethene;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of ethene;1,3,5-triazinane-2,4,6-trione (CID 174213756) is ethene;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for ethene;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for ethene;1,3,5-triazinane-2,4,6-trione is C=C.C=C.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethene;1,3,5-triazinane-2,4,6-trione?
The InChIKey is VDPCNKFIAFLGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O3.2C2H4/c7-1-4-2(8)6-3(9)5-1;2*1-2/h(H3,4,5,6,7,8,9);2*1-2H2.
What are the key properties of ethene;1,3,5-triazinane-2,4,6-trione?
ethene;1,3,5-triazinane-2,4,6-trione has a molecular weight of 185.18 g/mol, XLogP of -0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174213756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).