3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide

C10H22N6O2 — CID 23136054

IUPAC3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide
SMILESNNC(=O)CCN1CCN(CCC(=O)NN)CC1
InChIInChI=1S/C10H22N6O2/c11-13-9(17)1-3-15-5-7-16(8-6-15)4-2-10(18)14-12/h1-8,11-12H2,(H,13,17)(H,14,18)
InChIKeyBABBXBJFUPCCAS-UHFFFAOYSA-N
MW258.33 g/mol
LogP-2.64
Rot. Bonds6

About 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide

3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide (PubChem CID 23136054) has the molecular formula C10H22N6O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide
PubChem CID23136054
Molecular FormulaC10H22N6O2
Molecular Weight258.33 g/mol
Exact Mass258.18
IUPAC Name3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide
SMILESNNC(=O)CCN1CCN(CCC(=O)NN)CC1
InChIInChI=1S/C10H22N6O2/c11-13-9(17)1-3-15-5-7-16(8-6-15)4-2-10(18)14-12/h1-8,11-12H2,(H,13,17)(H,14,18)
InChIKeyBABBXBJFUPCCAS-UHFFFAOYSA-N
XLogP-2.64
TPSA116.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-2.64
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide?
The IUPAC name of 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide (CID 23136054) is 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide is NNC(=O)CCN1CCN(CCC(=O)NN)CC1.
What is the InChIKey of 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide?
The InChIKey is BABBXBJFUPCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O2/c11-13-9(17)1-3-15-5-7-16(8-6-15)4-2-10(18)14-12/h1-8,11-12H2,(H,13,17)(H,14,18).
What are the key properties of 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide?
3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide has a molecular weight of 258.33 g/mol, XLogP of -2.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydrazinyl-3-oxopropyl)piperazin-1-yl]propanehydrazide is sourced from PubChem (CID 23136054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).