3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide

C8H19N5O2 — CID 23136105

IUPAC3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide
SMILESCC(CC(=O)NN)NC(C)CC(=O)NN
InChIInChI=1S/C8H19N5O2/c1-5(3-7(14)12-9)11-6(2)4-8(15)13-10/h5-6,11H,3-4,9-10H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyPJIAEVUKXPZJKB-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.89
Rot. Bonds6

About 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide

3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide (PubChem CID 23136105) has the molecular formula C8H19N5O2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide
PubChem CID23136105
Molecular FormulaC8H19N5O2
Molecular Weight217.27 g/mol
Exact Mass217.15
IUPAC Name3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide
SMILESCC(CC(=O)NN)NC(C)CC(=O)NN
InChIInChI=1S/C8H19N5O2/c1-5(3-7(14)12-9)11-6(2)4-8(15)13-10/h5-6,11H,3-4,9-10H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyPJIAEVUKXPZJKB-UHFFFAOYSA-N
XLogP-1.89
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.89
H-Bond Donors ≤ 55
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-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide?
The IUPAC name of 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide (CID 23136105) is 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide?
The canonical SMILES for 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide is CC(CC(=O)NN)NC(C)CC(=O)NN.
What is the InChIKey of 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide?
The InChIKey is PJIAEVUKXPZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O2/c1-5(3-7(14)12-9)11-6(2)4-8(15)13-10/h5-6,11H,3-4,9-10H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide?
3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide has a molecular weight of 217.27 g/mol, XLogP of -1.89, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-4-oxobutan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 23136105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).