4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide

C12H26N4O — CID 114540686

IUPAC4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H26N4O/c1-9(5-6-12(17)14-13)16-7-10(2)15(4)11(3)8-16/h9-11H,5-8,13H2,1-4H3,(H,14,17)
InChIKeyITCVCRXEIYMEBW-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.17
Rot. Bonds4

About 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide

4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide (PubChem CID 114540686) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
PubChem CID114540686
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H26N4O/c1-9(5-6-12(17)14-13)16-7-10(2)15(4)11(3)8-16/h9-11H,5-8,13H2,1-4H3,(H,14,17)
InChIKeyITCVCRXEIYMEBW-UHFFFAOYSA-N
XLogP0.17
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide?
The IUPAC name of 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide (CID 114540686) is 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide?
The canonical SMILES for 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide is CC(CCC(=O)NN)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide?
The InChIKey is ITCVCRXEIYMEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-9(5-6-12(17)14-13)16-7-10(2)15(4)11(3)8-16/h9-11H,5-8,13H2,1-4H3,(H,14,17).
What are the key properties of 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide?
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide has a molecular weight of 242.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide is sourced from PubChem (CID 114540686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).