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

C9H14N4O2 — CID 80582866

IUPAC3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide
SMILESNNC(=O)CCn1ccn(C2CC2)c1=O
InChIInChI=1S/C9H14N4O2/c10-11-8(14)3-4-12-5-6-13(9(12)15)7-1-2-7/h5-7H,1-4,10H2,(H,11,14)
InChIKeyINXBGHWBSNDIRT-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.64
Rot. Bonds4

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

3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide (PubChem CID 80582866) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide
PubChem CID80582866
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide
SMILESNNC(=O)CCn1ccn(C2CC2)c1=O
InChIInChI=1S/C9H14N4O2/c10-11-8(14)3-4-12-5-6-13(9(12)15)7-1-2-7/h5-7H,1-4,10H2,(H,11,14)
InChIKeyINXBGHWBSNDIRT-UHFFFAOYSA-N
XLogP-0.64
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.64
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 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide?
The IUPAC name of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide (CID 80582866) is 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide is NNC(=O)CCn1ccn(C2CC2)c1=O.
What is the InChIKey of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide?
The InChIKey is INXBGHWBSNDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-11-8(14)3-4-12-5-6-13(9(12)15)7-1-2-7/h5-7H,1-4,10H2,(H,11,14).
What are the key properties of 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide?
3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 80582866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).