1-hydroxy-1,3-diazinane-2,5-dione

C4H6N2O3 — CID 54563837

IUPAC1-hydroxy-1,3-diazinane-2,5-dione
SMILESO=C1CNC(=O)N(O)C1
InChIInChI=1S/C4H6N2O3/c7-3-1-5-4(8)6(9)2-3/h9H,1-2H2,(H,5,8)
InChIKeyMJXXKZPNIHLRSD-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.03
Rot. Bonds

About 1-hydroxy-1,3-diazinane-2,5-dione

1-hydroxy-1,3-diazinane-2,5-dione (PubChem CID 54563837) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 1-hydroxy-1,3-diazinane-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-1,3-diazinane-2,5-dione
PubChem CID54563837
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name1-hydroxy-1,3-diazinane-2,5-dione
SMILESO=C1CNC(=O)N(O)C1
InChIInChI=1S/C4H6N2O3/c7-3-1-5-4(8)6(9)2-3/h9H,1-2H2,(H,5,8)
InChIKeyMJXXKZPNIHLRSD-UHFFFAOYSA-N
XLogP-1.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3-diazinane-2,5-dione?
The IUPAC name of 1-hydroxy-1,3-diazinane-2,5-dione (CID 54563837) is 1-hydroxy-1,3-diazinane-2,5-dione.
What is the SMILES notation for 1-hydroxy-1,3-diazinane-2,5-dione?
The canonical SMILES for 1-hydroxy-1,3-diazinane-2,5-dione is O=C1CNC(=O)N(O)C1.
What is the InChIKey of 1-hydroxy-1,3-diazinane-2,5-dione?
The InChIKey is MJXXKZPNIHLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-3-1-5-4(8)6(9)2-3/h9H,1-2H2,(H,5,8).
What are the key properties of 1-hydroxy-1,3-diazinane-2,5-dione?
1-hydroxy-1,3-diazinane-2,5-dione has a molecular weight of 130.10 g/mol, XLogP of -1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3-diazinane-2,5-dione is sourced from PubChem (CID 54563837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).