5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide

C5H6FN3O4 — CID 12890666

IUPAC5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESNC(=O)C1(F)C(=O)NC(=O)NC1O
InChIInChI=1S/C5H6FN3O4/c6-5(1(7)10)2(11)8-4(13)9-3(5)12/h2,11H,(H2,7,10)(H2,8,9,12,13)
InChIKeyFRKGVMPQSQNPCA-UHFFFAOYSA-N
MW191.12 g/mol
LogP-2.66
Rot. Bonds1

About 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide

5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide (PubChem CID 12890666) has the molecular formula C5H6FN3O4 and a molecular weight of 191.12 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide
PubChem CID12890666
Molecular FormulaC5H6FN3O4
Molecular Weight191.12 g/mol
Exact Mass191.03
IUPAC Name5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide
SMILESNC(=O)C1(F)C(=O)NC(=O)NC1O
InChIInChI=1S/C5H6FN3O4/c6-5(1(7)10)2(11)8-4(13)9-3(5)12/h2,11H,(H2,7,10)(H2,8,9,12,13)
InChIKeyFRKGVMPQSQNPCA-UHFFFAOYSA-N
XLogP-2.66
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 5-2.66
H-Bond Donors ≤ 54
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-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide?
The IUPAC name of 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide (CID 12890666) is 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide?
The canonical SMILES for 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide is NC(=O)C1(F)C(=O)NC(=O)NC1O.
What is the InChIKey of 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide?
The InChIKey is FRKGVMPQSQNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O4/c6-5(1(7)10)2(11)8-4(13)9-3(5)12/h2,11H,(H2,7,10)(H2,8,9,12,13).
What are the key properties of 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide?
5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide has a molecular weight of 191.12 g/mol, XLogP of -2.66, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 12890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).