5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C12H16N4O3 — CID 80582970

IUPAC5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCn1ccn(Cc2cc(C(=O)NN)c(C)o2)c1=O
InChIInChI=1S/C12H16N4O3/c1-3-15-4-5-16(12(15)18)7-9-6-10(8(2)19-9)11(17)14-13/h4-6H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyWEWPWKFLQMHQQE-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.22
Rot. Bonds4

About 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 80582970) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID80582970
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCCn1ccn(Cc2cc(C(=O)NN)c(C)o2)c1=O
InChIInChI=1S/C12H16N4O3/c1-3-15-4-5-16(12(15)18)7-9-6-10(8(2)19-9)11(17)14-13/h4-6H,3,7,13H2,1-2H3,(H,14,17)
InChIKeyWEWPWKFLQMHQQE-UHFFFAOYSA-N
XLogP0.22
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63573018
5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 66310867
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
CID 115912145
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 80582970) is 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is CCn1ccn(Cc2cc(C(=O)NN)c(C)o2)c1=O.
What is the InChIKey of 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is WEWPWKFLQMHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-15-4-5-16(12(15)18)7-9-6-10(8(2)19-9)11(17)14-13/h4-6H,3,7,13H2,1-2H3,(H,14,17).
What are the key properties of 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 264.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 80582970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).