2-(azidomethyl)piperazine

C5H11N5 — CID 90243445

IUPAC2-(azidomethyl)piperazine
SMILES[N-]=[N+]=NCC1CNCCN1
InChIInChI=1S/C5H11N5/c6-10-9-4-5-3-7-1-2-8-5/h5,7-8H,1-4H2
InChIKeyIGGHTHVCPFCPMH-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.14
Rot. Bonds2

About 2-(azidomethyl)piperazine

2-(azidomethyl)piperazine (PubChem CID 90243445) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 2-(azidomethyl)piperazine.

Molecular Properties

Compound Name2-(azidomethyl)piperazine
PubChem CID90243445
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name2-(azidomethyl)piperazine
SMILES[N-]=[N+]=NCC1CNCCN1
InChIInChI=1S/C5H11N5/c6-10-9-4-5-3-7-1-2-8-5/h5,7-8H,1-4H2
InChIKeyIGGHTHVCPFCPMH-UHFFFAOYSA-N
XLogP-0.14
TPSA72.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)piperazine?
The IUPAC name of 2-(azidomethyl)piperazine (CID 90243445) is 2-(azidomethyl)piperazine.
What is the SMILES notation for 2-(azidomethyl)piperazine?
The canonical SMILES for 2-(azidomethyl)piperazine is [N-]=[N+]=NCC1CNCCN1.
What is the InChIKey of 2-(azidomethyl)piperazine?
The InChIKey is IGGHTHVCPFCPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c6-10-9-4-5-3-7-1-2-8-5/h5,7-8H,1-4H2.
What are the key properties of 2-(azidomethyl)piperazine?
2-(azidomethyl)piperazine has a molecular weight of 141.18 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)piperazine is sourced from PubChem (CID 90243445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).