1,3-diazinane-2,4,6-trione;1H-pyridin-2-one

C9H9N3O4 — CID 22079480

IUPAC1,3-diazinane-2,4,6-trione;1H-pyridin-2-one
SMILESO=C1CC(=O)NC(=O)N1.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C4H4N2O3/c7-5-3-1-2-4-6-5;7-2-1-3(8)6-4(9)5-2/h1-4H,(H,6,7);1H2,(H2,5,6,7,8,9)
InChIKeyPMVUZXSGFLBPQZ-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.88
Rot. Bonds

About 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one

1,3-diazinane-2,4,6-trione;1H-pyridin-2-one (PubChem CID 22079480) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one.

Molecular Properties

Compound Name1,3-diazinane-2,4,6-trione;1H-pyridin-2-one
PubChem CID22079480
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name1,3-diazinane-2,4,6-trione;1H-pyridin-2-one
SMILESO=C1CC(=O)NC(=O)N1.O=c1cccc[nH]1
InChIInChI=1S/C5H5NO.C4H4N2O3/c7-5-3-1-2-4-6-5;7-2-1-3(8)6-4(9)5-2/h1-4H,(H,6,7);1H2,(H2,5,6,7,8,9)
InChIKeyPMVUZXSGFLBPQZ-UHFFFAOYSA-N
XLogP-0.88
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.88
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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Related Compounds

1,9a-Dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 351417
3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
CID 53447377
3-Methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 23558224
2,3-Dihydro-1H-pyrido[1,2-a]pyrimidin-4(9aH)-one
CID 54218141
2-oxo-N-(2H-pyridin-1-ylmethyl)-1H-pyridine-3-carboxamide
CID 69760472
1,3-Diazinane-2,4-dione;1-methylpyrimidine-2,4-dione
CID 69786376
2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide
CID 130200223
2,4,6-trioxo-N-(2-oxo-1H-pyridin-4-yl)-1,3-diazinane-5-carboxamide
CID 130200256
1,3-Diazabicyclo[3.3.1]nona-5,7-diene-2,4-dione
CID 140399143
1,3-diazinane-2,4-dione;1H-pyrimidine-2,4-dione
CID 141460560
1-[(2-Oxo-1-prop-2-enyl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156176688
1-[(2-Oxo-1-prop-2-enyl-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 156176689

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one?
The IUPAC name of 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one (CID 22079480) is 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one.
What is the SMILES notation for 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one?
The canonical SMILES for 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one is O=C1CC(=O)NC(=O)N1.O=c1cccc[nH]1.
What is the InChIKey of 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one?
The InChIKey is PMVUZXSGFLBPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C4H4N2O3/c7-5-3-1-2-4-6-5;7-2-1-3(8)6-4(9)5-2/h1-4H,(H,6,7);1H2,(H2,5,6,7,8,9).
What are the key properties of 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one?
1,3-diazinane-2,4,6-trione;1H-pyridin-2-one has a molecular weight of 223.19 g/mol, XLogP of -0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4,6-trione;1H-pyridin-2-one is sourced from PubChem (CID 22079480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).