5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

C13H18N4O4 — CID 63571845

IUPAC5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCCN1CCN(Cc2cc(C)c(C(=O)NN)o2)C(=O)C1=O
InChIInChI=1S/C13H18N4O4/c1-3-16-4-5-17(13(20)12(16)19)7-9-6-8(2)10(21-9)11(18)15-14/h6H,3-5,7,14H2,1-2H3,(H,15,18)
InChIKeyOWAHWMIDLYWGEZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.62
Rot. Bonds4

About 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63571845) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63571845
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCCN1CCN(Cc2cc(C)c(C(=O)NN)o2)C(=O)C1=O
InChIInChI=1S/C13H18N4O4/c1-3-16-4-5-17(13(20)12(16)19)7-9-6-8(2)10(21-9)11(18)15-14/h6H,3-5,7,14H2,1-2H3,(H,15,18)
InChIKeyOWAHWMIDLYWGEZ-UHFFFAOYSA-N
XLogP-0.62
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572468
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
CID 63581869
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572055
5-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 66328558

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (CID 63571845) is 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is CCN1CCN(Cc2cc(C)c(C(=O)NN)o2)C(=O)C1=O.
What is the InChIKey of 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is OWAHWMIDLYWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-3-16-4-5-17(13(20)12(16)19)7-9-6-8(2)10(21-9)11(18)15-14/h6H,3-5,7,14H2,1-2H3,(H,15,18).
What are the key properties of 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 294.31 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63571845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).