6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione

C5H8IN3O3 — CID 130409702

IUPAC6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)N(C)C(O)N(I)C1=O
InChIInChI=1S/C5H8IN3O3/c1-7-3(10)8(2)5(12)9(6)4(7)11/h4,11H,1-2H3
InChIKeyVDKWFJNSJFBAHY-UHFFFAOYSA-N
MW285.04 g/mol
LogP0.03
Rot. Bonds

About 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione

6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione (PubChem CID 130409702) has the molecular formula C5H8IN3O3 and a molecular weight of 285.04 g/mol. Its IUPAC name is 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione
PubChem CID130409702
Molecular FormulaC5H8IN3O3
Molecular Weight285.04 g/mol
Exact Mass284.96
IUPAC Name6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione
SMILESCN1C(=O)N(C)C(O)N(I)C1=O
InChIInChI=1S/C5H8IN3O3/c1-7-3(10)8(2)5(12)9(6)4(7)11/h4,11H,1-2H3
InChIKeyVDKWFJNSJFBAHY-UHFFFAOYSA-N
XLogP0.03
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.04
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3,4,5-trimethylimidazolidin-2-one
CID 154991596
6-hydroxy-1,3,5,5-tetramethyl-1,3-diazinane-2,4-dione
CID 135040297
(5S,6R)-5,6-dihydroxy-1,3,5-trimethyl-1,3-diazinane-2,4-dione
CID 102238626
4-hydroxy-1,3-dimethyl-6-(trifluoromethyl)-4H-pyrimidin-2-one
CID 162548687
(5S,6S)-6-hydroxy-1,3,5-trimethyl-5-nitro-1,3-diazinane-2,4-dione
CID 7333015
sodium;5-(dihydroxymethyl)-1,3-dimethylimidazolidine-2,4-dione;hydride
CID 175281534
2,4-dimethyl-2,4-diazabicyclo[5.1.0]octane-3,5-dione
CID 143367578
5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one
CID 129106299
1-[(4,5-dihydroxy-3-methyl-2-oxoimidazolidin-1-yl)methyl]-4,5-dihydroxy-3-methylimidazolidin-2-one
CID 20557106
1,3-dimethyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 78292189
1-iodo-3-methylimidazolidin-2-one
CID 129182782
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione (CID 130409702) is 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione is CN1C(=O)N(C)C(O)N(I)C1=O.
What is the InChIKey of 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione?
The InChIKey is VDKWFJNSJFBAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3O3/c1-7-3(10)8(2)5(12)9(6)4(7)11/h4,11H,1-2H3.
What are the key properties of 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione?
6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione has a molecular weight of 285.04 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-iodo-3,5-dimethyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 130409702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).