5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione

C4H4N2O4 — CID 10630648

IUPAC5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione
SMILESO=C1[14NH][13C](=O)[14NH][13C](=O)C1O
InChIInChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)/i2+1,4+1,5+0,6+0
InChIKeyBVEWMNTVZPFPQI-FOSHHHTMSA-N
MW146.06 g/mol
LogP-2.29
Rot. Bonds

About 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione

5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione (PubChem CID 10630648) has the molecular formula C4H4N2O4 and a molecular weight of 146.06 g/mol. Its IUPAC name is 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione
PubChem CID10630648
Molecular FormulaC4H4N2O4
Molecular Weight146.06 g/mol
Exact Mass146.02
IUPAC Name5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione
SMILESO=C1[14NH][13C](=O)[14NH][13C](=O)C1O
InChIInChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)/i2+1,4+1,5+0,6+0
InChIKeyBVEWMNTVZPFPQI-FOSHHHTMSA-N
XLogP-2.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.06
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione (CID 10630648) is 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione is O=C1[14NH][13C](=O)[14NH][13C](=O)C1O.
What is the InChIKey of 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione?
The InChIKey is BVEWMNTVZPFPQI-FOSHHHTMSA-N. The full InChI is InChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)/i2+1,4+1,5+0,6+0.
What are the key properties of 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione?
5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione has a molecular weight of 146.06 g/mol, XLogP of -2.29, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 10630648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).