1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one

C7H17N5O — CID 121298830

IUPAC1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one
SMILESNNCCC(=O)N1CCN(N)CC1
InChIInChI=1S/C7H17N5O/c8-10-2-1-7(13)11-3-5-12(9)6-4-11/h10H,1-6,8-9H2
InChIKeyFPKDTOGYWROWRL-UHFFFAOYSA-N
MW187.25 g/mol
LogP-2.14
Rot. Bonds3

About 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one

1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one (PubChem CID 121298830) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one
PubChem CID121298830
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one
SMILESNNCCC(=O)N1CCN(N)CC1
InChIInChI=1S/C7H17N5O/c8-10-2-1-7(13)11-3-5-12(9)6-4-11/h10H,1-6,8-9H2
InChIKeyFPKDTOGYWROWRL-UHFFFAOYSA-N
XLogP-2.14
TPSA87.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one?
The IUPAC name of 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one (CID 121298830) is 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one is NNCCC(=O)N1CCN(N)CC1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one?
The InChIKey is FPKDTOGYWROWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c8-10-2-1-7(13)11-3-5-12(9)6-4-11/h10H,1-6,8-9H2.
What are the key properties of 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one?
1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one has a molecular weight of 187.25 g/mol, XLogP of -2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperazin-1-yl)-3-hydrazinylpropan-1-one is sourced from PubChem (CID 121298830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).