2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide

C8H14N4O2 — CID 80582810

IUPAC2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide
SMILESCCn1ccn(C(C)C(=O)NN)c1=O
InChIInChI=1S/C8H14N4O2/c1-3-11-4-5-12(8(11)14)6(2)7(13)10-9/h4-6H,3,9H2,1-2H3,(H,10,13)
InChIKeyBTNQMFMNVQMOID-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.78
Rot. Bonds3

About 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide

2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide (PubChem CID 80582810) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide
PubChem CID80582810
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide
SMILESCCn1ccn(C(C)C(=O)NN)c1=O
InChIInChI=1S/C8H14N4O2/c1-3-11-4-5-12(8(11)14)6(2)7(13)10-9/h4-6H,3,9H2,1-2H3,(H,10,13)
InChIKeyBTNQMFMNVQMOID-UHFFFAOYSA-N
XLogP-0.78
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.78
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 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide?
The IUPAC name of 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide (CID 80582810) is 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide is CCn1ccn(C(C)C(=O)NN)c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide?
The InChIKey is BTNQMFMNVQMOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-11-4-5-12(8(11)14)6(2)7(13)10-9/h4-6H,3,9H2,1-2H3,(H,10,13).
What are the key properties of 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide?
2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide has a molecular weight of 198.23 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxoimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 80582810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).