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

C10H16N4O2 — CID 80582685

IUPAC4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H16N4O2/c11-12-9(15)2-1-5-13-6-7-14(10(13)16)8-3-4-8/h6-8H,1-5,11H2,(H,12,15)
InChIKeyXNVRXCZMXYQJER-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.25
Rot. Bonds5

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

4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide (PubChem CID 80582685) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide
PubChem CID80582685
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide
SMILESNNC(=O)CCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H16N4O2/c11-12-9(15)2-1-5-13-6-7-14(10(13)16)8-3-4-8/h6-8H,1-5,11H2,(H,12,15)
InChIKeyXNVRXCZMXYQJER-UHFFFAOYSA-N
XLogP-0.25
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.25
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-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide?
The IUPAC name of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide (CID 80582685) is 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide.
What is the SMILES notation for 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide?
The canonical SMILES for 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide is NNC(=O)CCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide?
The InChIKey is XNVRXCZMXYQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-12-9(15)2-1-5-13-6-7-14(10(13)16)8-3-4-8/h6-8H,1-5,11H2,(H,12,15).
What are the key properties of 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide?
4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide has a molecular weight of 224.26 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-2-oxoimidazol-1-yl)butanehydrazide is sourced from PubChem (CID 80582685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).