4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide

C9H16N4O2 — CID 80582721

IUPAC4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide
SMILESCCn1ccn(CCCC(=O)NN)c1=O
InChIInChI=1S/C9H16N4O2/c1-2-12-6-7-13(9(12)15)5-3-4-8(14)11-10/h6-7H,2-5,10H2,1H3,(H,11,14)
InChIKeyKVEAFFKRCWQCTK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.56
Rot. Bonds5

About 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide

4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide (PubChem CID 80582721) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide
PubChem CID80582721
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide
SMILESCCn1ccn(CCCC(=O)NN)c1=O
InChIInChI=1S/C9H16N4O2/c1-2-12-6-7-13(9(12)15)5-3-4-8(14)11-10/h6-7H,2-5,10H2,1H3,(H,11,14)
InChIKeyKVEAFFKRCWQCTK-UHFFFAOYSA-N
XLogP-0.56
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide?
The IUPAC name of 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide (CID 80582721) is 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide?
The canonical SMILES for 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide is CCn1ccn(CCCC(=O)NN)c1=O.
What is the InChIKey of 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide?
The InChIKey is KVEAFFKRCWQCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-12-6-7-13(9(12)15)5-3-4-8(14)11-10/h6-7H,2-5,10H2,1H3,(H,11,14).
What are the key properties of 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide?
4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide has a molecular weight of 212.25 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide is sourced from PubChem (CID 80582721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).