butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide

C10H25N5O2 — CID 23136099

IUPACbutane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide
SMILESCC(NC(C)C(=O)NN)C(=O)NN.CCCC
InChIInChI=1S/C6H15N5O2.C4H10/c1-3(5(12)10-7)9-4(2)6(13)11-8;1-3-4-2/h3-4,9H,7-8H2,1-2H3,(H,10,12)(H,11,13);3-4H2,1-2H3
InChIKeyDXQBLXOYUWLHLQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.86
Rot. Bonds5

About butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide

butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide (PubChem CID 23136099) has the molecular formula C10H25N5O2 and a molecular weight of 247.34 g/mol. Its IUPAC name is butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide.

Molecular Properties

Compound Namebutane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide
PubChem CID23136099
Molecular FormulaC10H25N5O2
Molecular Weight247.34 g/mol
Exact Mass247.20
IUPAC Namebutane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide
SMILESCC(NC(C)C(=O)NN)C(=O)NN.CCCC
InChIInChI=1S/C6H15N5O2.C4H10/c1-3(5(12)10-7)9-4(2)6(13)11-8;1-3-4-2/h3-4,9H,7-8H2,1-2H3,(H,10,12)(H,11,13);3-4H2,1-2H3
InChIKeyDXQBLXOYUWLHLQ-UHFFFAOYSA-N
XLogP-0.86
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.86
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 butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide?
The IUPAC name of butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide (CID 23136099) is butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide.
What is the SMILES notation for butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide?
The canonical SMILES for butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide is CC(NC(C)C(=O)NN)C(=O)NN.CCCC.
What is the InChIKey of butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide?
The InChIKey is DXQBLXOYUWLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O2.C4H10/c1-3(5(12)10-7)9-4(2)6(13)11-8;1-3-4-2/h3-4,9H,7-8H2,1-2H3,(H,10,12)(H,11,13);3-4H2,1-2H3.
What are the key properties of butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide?
butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide has a molecular weight of 247.34 g/mol, XLogP of -0.86, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-[(1-hydrazinyl-1-oxopropan-2-yl)amino]propanehydrazide is sourced from PubChem (CID 23136099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).