4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide

C12H22N6O2 — CID 69094618

IUPAC4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
SMILESNNC(=O)C=CCN1CCN(CC=CC(=O)NN)CC1
InChIInChI=1S/C12H22N6O2/c13-15-11(19)3-1-5-17-7-9-18(10-8-17)6-2-4-12(20)16-14/h1-4H,5-10,13-14H2,(H,15,19)(H,16,20)
InChIKeyVSLJNBJWQHMDOT-UHFFFAOYSA-N
MW282.35 g/mol
LogP-2.30
Rot. Bonds6

About 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide

4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide (PubChem CID 69094618) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide.

Molecular Properties

Compound Name4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
PubChem CID69094618
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
SMILESNNC(=O)C=CCN1CCN(CC=CC(=O)NN)CC1
InChIInChI=1S/C12H22N6O2/c13-15-11(19)3-1-5-17-7-9-18(10-8-17)6-2-4-12(20)16-14/h1-4H,5-10,13-14H2,(H,15,19)(H,16,20)
InChIKeyVSLJNBJWQHMDOT-UHFFFAOYSA-N
XLogP-2.30
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide?
The IUPAC name of 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide (CID 69094618) is 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide.
What is the SMILES notation for 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide?
The canonical SMILES for 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide is NNC(=O)C=CCN1CCN(CC=CC(=O)NN)CC1.
What is the InChIKey of 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide?
The InChIKey is VSLJNBJWQHMDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c13-15-11(19)3-1-5-17-7-9-18(10-8-17)6-2-4-12(20)16-14/h1-4H,5-10,13-14H2,(H,15,19)(H,16,20).
What are the key properties of 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide?
4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide has a molecular weight of 282.35 g/mol, XLogP of -2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide is sourced from PubChem (CID 69094618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).