3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide

C9H16N6O3 — CID 23136116

IUPAC3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide
SMILESNNC(=O)CCn1ccn(CCC(=O)NN)c1=O
InChIInChI=1S/C9H16N6O3/c10-12-7(16)1-3-14-5-6-15(9(14)18)4-2-8(17)13-11/h5-6H,1-4,10-11H2,(H,12,16)(H,13,17)
InChIKeySZFCCBMFMRMNNW-UHFFFAOYSA-N
MW256.27 g/mol
LogP-2.59
Rot. Bonds6

About 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide

3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide (PubChem CID 23136116) has the molecular formula C9H16N6O3 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide
PubChem CID23136116
Molecular FormulaC9H16N6O3
Molecular Weight256.27 g/mol
Exact Mass256.13
IUPAC Name3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide
SMILESNNC(=O)CCn1ccn(CCC(=O)NN)c1=O
InChIInChI=1S/C9H16N6O3/c10-12-7(16)1-3-14-5-6-15(9(14)18)4-2-8(17)13-11/h5-6H,1-4,10-11H2,(H,12,16)(H,13,17)
InChIKeySZFCCBMFMRMNNW-UHFFFAOYSA-N
XLogP-2.59
TPSA137.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide?
The IUPAC name of 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide (CID 23136116) is 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide.
What is the SMILES notation for 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide?
The canonical SMILES for 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide is NNC(=O)CCn1ccn(CCC(=O)NN)c1=O.
What is the InChIKey of 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide?
The InChIKey is SZFCCBMFMRMNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3/c10-12-7(16)1-3-14-5-6-15(9(14)18)4-2-8(17)13-11/h5-6H,1-4,10-11H2,(H,12,16)(H,13,17).
What are the key properties of 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide?
3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide has a molecular weight of 256.27 g/mol, XLogP of -2.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydrazinyl-3-oxopropyl)-2-oxoimidazol-1-yl]propanehydrazide is sourced from PubChem (CID 23136116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).