pentazene

H5N5 — CID 23452754

IUPAC—
SMILESN/N=N/NN
InChIInChI=1S/H5N5/c1-3-5-4-2/h(H,3,4)(H4,1,2,5)
InChIKeyWLPWBUSZWTZYTQ-UHFFFAOYSA-N
MW75.08 g/mol
LogP-1.31
Rot. Bonds1

About pentazene

pentazene (PubChem CID 23452754) has the molecular formula H5N5 and a molecular weight of 75.08 g/mol.

Molecular Properties

Compound Namepentazene
PubChem CID23452754
Molecular FormulaH5N5
Molecular Weight75.08 g/mol
Exact Mass75.05
IUPAC Name—
SMILESN/N=N/NN
InChIInChI=1S/H5N5/c1-3-5-4-2/h(H,3,4)(H4,1,2,5)
InChIKeyWLPWBUSZWTZYTQ-UHFFFAOYSA-N
XLogP-1.31
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.08
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 pentazene?
The IUPAC name of pentazene (CID 23452754) is not available.
What is the SMILES notation for pentazene?
The canonical SMILES for pentazene is N/N=N/NN.
What is the InChIKey of pentazene?
The InChIKey is WLPWBUSZWTZYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N5/c1-3-5-4-2/h(H,3,4)(H4,1,2,5).
What are the key properties of pentazene?
pentazene has a molecular weight of 75.08 g/mol, XLogP of -1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentazene is sourced from PubChem (CID 23452754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).