Hexaaza-1,5-diene

H4N6 — CID 20801673

IUPAC—
SMILESN/N=N/N=N/N
InChIInChI=1S/H4N6/c1-3-5-6-4-2/h(H2,1,4,5)(H2,2,3,6)
InChIKeyMIEPSTDPFQPDEW-UHFFFAOYSA-N
MW88.07 g/mol
LogP-0.45
Rot. Bonds1

About Hexaaza-1,5-diene

Hexaaza-1,5-diene (PubChem CID 20801673) has the molecular formula H4N6 and a molecular weight of 88.07 g/mol.

Molecular Properties

Compound NameHexaaza-1,5-diene
PubChem CID20801673
Molecular FormulaH4N6
Molecular Weight88.07 g/mol
Exact Mass88.05
IUPAC Name—
SMILESN/N=N/N=N/N
InChIInChI=1S/H4N6/c1-3-5-6-4-2/h(H2,1,4,5)(H2,2,3,6)
InChIKeyMIEPSTDPFQPDEW-UHFFFAOYSA-N
XLogP-0.45
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

Ammonium azide
CID 10313046
Tetraaz-1-ene
CID 5463295
Aminoazanium azide
CID 18385035
Tetrazadiene
CID 19878547
Azidoamine
CID 21261948
Diazokomponente Diamine
CID 21585070
Pentazadiene
CID 23436648
Pentazene
CID 23452754
CID 139212552
CID 139212552
Ammonium azide [Forbidden]
CID 61555
(3Z)-1-Pentaazene
CID 165363643
CID 139116477
CID 139116477

Frequently Asked Questions

What is the IUPAC name of Hexaaza-1,5-diene?
The IUPAC name of Hexaaza-1,5-diene (CID 20801673) is not available.
What is the SMILES notation for Hexaaza-1,5-diene?
The canonical SMILES for Hexaaza-1,5-diene is N/N=N/N=N/N.
What is the InChIKey of Hexaaza-1,5-diene?
The InChIKey is MIEPSTDPFQPDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N6/c1-3-5-6-4-2/h(H2,1,4,5)(H2,2,3,6).
What are the key properties of Hexaaza-1,5-diene?
Hexaaza-1,5-diene has a molecular weight of 88.07 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Hexaaza-1,5-diene is sourced from PubChem (CID 20801673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).