1,2,3,4,5,6,7,8-octaazidocubane

C8N24 — CID 86068783

IUPAC1,2,3,4,5,6,7,8-octaazidocubane
SMILES[N-]=[N+]=NC12C3(N=[N+]=[N-])C4(N=[N+]=[N-])C1(N=[N+]=[N-])C1(N=[N+]=[N-])C2(N=[N+]=[N-])C3(N=[N+]=[N-])C41N=[N+]=[N-]
InChIInChI=1S/C8N24/c9-25-17-1-2(18-26-10)5(21-29-13)3(1,19-27-11)7(23-31-15)4(1,20-28-12)6(2,22-30-14)8(5,7)24-32-16
InChIKeyFEOXETXHOXNPJQ-UHFFFAOYSA-N
MW432.26 g/mol
LogP4.45
Rot. Bonds8

About 1,2,3,4,5,6,7,8-octaazidocubane

1,2,3,4,5,6,7,8-octaazidocubane (PubChem CID 86068783) has the molecular formula C8N24 and a molecular weight of 432.26 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octaazidocubane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octaazidocubane
PubChem CID86068783
Molecular FormulaC8N24
Molecular Weight432.26 g/mol
Exact Mass432.07
IUPAC Name1,2,3,4,5,6,7,8-octaazidocubane
SMILES[N-]=[N+]=NC12C3(N=[N+]=[N-])C4(N=[N+]=[N-])C1(N=[N+]=[N-])C1(N=[N+]=[N-])C2(N=[N+]=[N-])C3(N=[N+]=[N-])C41N=[N+]=[N-]
InChIInChI=1S/C8N24/c9-25-17-1-2(18-26-10)5(21-29-13)3(1,19-27-11)7(23-31-15)4(1,20-28-12)6(2,22-30-14)8(5,7)24-32-16
InChIKeyFEOXETXHOXNPJQ-UHFFFAOYSA-N
XLogP4.45
TPSA390.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

azane;1,1-diazidocyclopropane
CID 174882116
1-azido-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 141339569
1-azido-1-methylcyclobutane
CID 126726881
1-azido-1-methylcycloundecane
CID 121345387
3-azido-3-methylcyclobutan-1-amine
CID 150674806
1-azidocyclododecane-1-carbonitrile
CID 24974192
cis-(1S,2S)-1-azido-1-ethenyl-2-methylcyclopropane
CID 131187728
1-azido-2-methylcyclopropane-1-carboxylic acid
CID 12778615
CID 167710109
CID 167710109
1-azido-1-methylcyclopentane;1-methylcyclopentan-1-amine;hydrochloride
CID 158415985
(2S,3S,4R,5R)-2-azido-3,4,5-trihydroxyoxane-2-carbonitrile
CID 100962432
(1-azidocyclopropyl)benzene;molecular hydrogen
CID 167653992

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octaazidocubane?
The IUPAC name of 1,2,3,4,5,6,7,8-octaazidocubane (CID 86068783) is 1,2,3,4,5,6,7,8-octaazidocubane.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octaazidocubane?
The canonical SMILES for 1,2,3,4,5,6,7,8-octaazidocubane is [N-]=[N+]=NC12C3(N=[N+]=[N-])C4(N=[N+]=[N-])C1(N=[N+]=[N-])C1(N=[N+]=[N-])C2(N=[N+]=[N-])C3(N=[N+]=[N-])C41N=[N+]=[N-].
What is the InChIKey of 1,2,3,4,5,6,7,8-octaazidocubane?
The InChIKey is FEOXETXHOXNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8N24/c9-25-17-1-2(18-26-10)5(21-29-13)3(1,19-27-11)7(23-31-15)4(1,20-28-12)6(2,22-30-14)8(5,7)24-32-16.
What are the key properties of 1,2,3,4,5,6,7,8-octaazidocubane?
1,2,3,4,5,6,7,8-octaazidocubane has a molecular weight of 432.26 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octaazidocubane is sourced from PubChem (CID 86068783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).