5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione

C4H4N2O4 — CID 71315883

IUPAC5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione
SMILESO=C1[15NH][13C](=O)[15NH]C(=O)C1O
InChIInChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)/i4+1,5+1,6+1
InChIKeyBVEWMNTVZPFPQI-VMGGCIAMSA-N
MW147.06 g/mol
LogP-2.29
Rot. Bonds

About 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione

5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione (PubChem CID 71315883) has the molecular formula C4H4N2O4 and a molecular weight of 147.06 g/mol. Its IUPAC name is 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione
PubChem CID71315883
Molecular FormulaC4H4N2O4
Molecular Weight147.06 g/mol
Exact Mass147.01
IUPAC Name5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione
SMILESO=C1[15NH][13C](=O)[15NH]C(=O)C1O
InChIInChI=1S/C4H4N2O4/c7-1-2(8)5-4(10)6-3(1)9/h1,7H,(H2,5,6,8,9,10)/i4+1,5+1,6+1
InChIKeyBVEWMNTVZPFPQI-VMGGCIAMSA-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 ≤ 500147.06
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'}

Analyze 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione (CID 71315883) is 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione is O=C1[15NH][13C](=O)[15NH]C(=O)C1O.
What is the InChIKey of 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione?
The InChIKey is BVEWMNTVZPFPQI-VMGGCIAMSA-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)/i4+1,5+1,6+1.
What are the key properties of 5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione?
5-hydroxy-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione has a molecular weight of 147.06 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-(213C,1,3-15N2)1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 71315883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).