3-hydroxy-1,3-diazinan-4-one

C4H8N2O2 — CID 15306181

IUPAC3-hydroxy-1,3-diazinan-4-one
SMILESO=C1CCNCN1O
InChIInChI=1S/C4H8N2O2/c7-4-1-2-5-3-6(4)8/h5,8H,1-3H2
InChIKeyBTUSUPRZCRZVIY-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.85
Rot. Bonds

About 3-hydroxy-1,3-diazinan-4-one

3-hydroxy-1,3-diazinan-4-one (PubChem CID 15306181) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-hydroxy-1,3-diazinan-4-one.

Molecular Properties

Compound Name3-hydroxy-1,3-diazinan-4-one
PubChem CID15306181
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-hydroxy-1,3-diazinan-4-one
SMILESO=C1CCNCN1O
InChIInChI=1S/C4H8N2O2/c7-4-1-2-5-3-6(4)8/h5,8H,1-3H2
InChIKeyBTUSUPRZCRZVIY-UHFFFAOYSA-N
XLogP-0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.85
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 3-hydroxy-1,3-diazinan-4-one?
The IUPAC name of 3-hydroxy-1,3-diazinan-4-one (CID 15306181) is 3-hydroxy-1,3-diazinan-4-one.
What is the SMILES notation for 3-hydroxy-1,3-diazinan-4-one?
The canonical SMILES for 3-hydroxy-1,3-diazinan-4-one is O=C1CCNCN1O.
What is the InChIKey of 3-hydroxy-1,3-diazinan-4-one?
The InChIKey is BTUSUPRZCRZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c7-4-1-2-5-3-6(4)8/h5,8H,1-3H2.
What are the key properties of 3-hydroxy-1,3-diazinan-4-one?
3-hydroxy-1,3-diazinan-4-one has a molecular weight of 116.12 g/mol, XLogP of -0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3-diazinan-4-one is sourced from PubChem (CID 15306181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).