6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide

C12H20N4O2 — CID 80582772

IUPAC6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H20N4O2/c13-14-11(17)4-2-1-3-7-15-8-9-16(12(15)18)10-5-6-10/h8-10H,1-7,13H2,(H,14,17)
InChIKeySSEIMKRYAVHFDS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.54
Rot. Bonds7

About 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide

6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide (PubChem CID 80582772) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide
PubChem CID80582772
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide
SMILESNNC(=O)CCCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H20N4O2/c13-14-11(17)4-2-1-3-7-15-8-9-16(12(15)18)10-5-6-10/h8-10H,1-7,13H2,(H,14,17)
InChIKeySSEIMKRYAVHFDS-UHFFFAOYSA-N
XLogP0.54
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide?
The IUPAC name of 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide (CID 80582772) is 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide?
The canonical SMILES for 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide is NNC(=O)CCCCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide?
The InChIKey is SSEIMKRYAVHFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-14-11(17)4-2-1-3-7-15-8-9-16(12(15)18)10-5-6-10/h8-10H,1-7,13H2,(H,14,17).
What are the key properties of 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide?
6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide has a molecular weight of 252.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-2-oxoimidazol-1-yl)hexanehydrazide is sourced from PubChem (CID 80582772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).