5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione

C11H12N4O5 — CID 6003162

IUPAC5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione
SMILESCN(C)/N=C\c1ccc(C2(O)C(=O)NC(=O)NC2=O)o1
InChIInChI=1S/C11H12N4O5/c1-15(2)12-5-6-3-4-7(20-6)11(19)8(16)13-10(18)14-9(11)17/h3-5,19H,1-2H3,(H2,13,14,16,17,18)/b12-5-
InChIKeyNLFVWAWHTAOTST-XGICHPGQSA-N
MW280.24 g/mol
LogP-1.27
Rot. Bonds3

About 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione

5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione (PubChem CID 6003162) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione
PubChem CID6003162
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione
SMILESCN(C)/N=C\c1ccc(C2(O)C(=O)NC(=O)NC2=O)o1
InChIInChI=1S/C11H12N4O5/c1-15(2)12-5-6-3-4-7(20-6)11(19)8(16)13-10(18)14-9(11)17/h3-5,19H,1-2H3,(H2,13,14,16,17,18)/b12-5-
InChIKeyNLFVWAWHTAOTST-XGICHPGQSA-N
XLogP-1.27
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione (CID 6003162) is 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione is CN(C)/N=C\c1ccc(C2(O)C(=O)NC(=O)NC2=O)o1.
What is the InChIKey of 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
The InChIKey is NLFVWAWHTAOTST-XGICHPGQSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-15(2)12-5-6-3-4-7(20-6)11(19)8(16)13-10(18)14-9(11)17/h3-5,19H,1-2H3,(H2,13,14,16,17,18)/b12-5-.
What are the key properties of 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione?
5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione has a molecular weight of 280.24 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(Z)-(dimethylhydrazinylidene)methyl]furan-2-yl]-5-hydroxy-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6003162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).