5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide

C12H14N4O3 — CID 80582956

IUPAC5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2ccn(C3CC3)c2=O)o1
InChIInChI=1S/C12H14N4O3/c13-14-11(17)10-4-3-9(19-10)7-15-5-6-16(12(15)18)8-1-2-8/h3-6,8H,1-2,7,13H2,(H,14,17)
InChIKeyXHZNQFPEICBJKP-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.23
Rot. Bonds4

About 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide

5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 80582956) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID80582956
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2ccn(C3CC3)c2=O)o1
InChIInChI=1S/C12H14N4O3/c13-14-11(17)10-4-3-9(19-10)7-15-5-6-16(12(15)18)8-1-2-8/h3-6,8H,1-2,7,13H2,(H,14,17)
InChIKeyXHZNQFPEICBJKP-UHFFFAOYSA-N
XLogP0.23
TPSA95.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.23
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'}

Analyze 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide (CID 80582956) is 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(Cn2ccn(C3CC3)c2=O)o1.
What is the InChIKey of 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is XHZNQFPEICBJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-14-11(17)10-4-3-9(19-10)7-15-5-6-16(12(15)18)8-1-2-8/h3-6,8H,1-2,7,13H2,(H,14,17).
What are the key properties of 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide?
5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 262.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 80582956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).