2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione

C8H8N6O3 — CID 172843621

IUPAC2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione
SMILESC=Cc1ncncn1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H5N3.C3H3N3O3/c1-2-5-7-3-6-4-8-5;7-1-4-2(8)6-3(9)5-1/h2-4H,1H2;(H3,4,5,6,7,8,9)
InChIKeyXCXGTTUXAAWEGU-UHFFFAOYSA-N
MW236.19 g/mol
LogP-1.73
Rot. Bonds1

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

2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione (PubChem CID 172843621) has the molecular formula C8H8N6O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione
PubChem CID172843621
Molecular FormulaC8H8N6O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione
SMILESC=Cc1ncncn1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H5N3.C3H3N3O3/c1-2-5-7-3-6-4-8-5;7-1-4-2(8)6-3(9)5-1/h2-4H,1H2;(H3,4,5,6,7,8,9)
InChIKeyXCXGTTUXAAWEGU-UHFFFAOYSA-N
XLogP-1.73
TPSA137.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione (CID 172843621) is 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione is C=Cc1ncncn1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione?
The InChIKey is XCXGTTUXAAWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3.C3H3N3O3/c1-2-5-7-3-6-4-8-5;7-1-4-2(8)6-3(9)5-1/h2-4H,1H2;(H3,4,5,6,7,8,9).
What are the key properties of 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione?
2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione has a molecular weight of 236.19 g/mol, XLogP of -1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,5-triazine;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 172843621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).