phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene

C17H18N6 — CID 10425266

IUPACphenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene
SMILESc1ccc(/N=N/N2C[C@@H]3C[C@H]2CN3/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H18N6/c1-3-7-14(8-4-1)18-20-22-12-17-11-16(22)13-23(17)21-19-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/b20-18+,21-19+/t16-,17-/m0/s1
InChIKeyLKZCZXMUTDAQPG-ZQUSJICXSA-N
MW306.37 g/mol
LogP4.14
Rot. Bonds4

About phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene

phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene (PubChem CID 10425266) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene.

Molecular Properties

Compound Namephenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene
PubChem CID10425266
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Namephenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene
SMILESc1ccc(/N=N/N2C[C@@H]3C[C@H]2CN3/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H18N6/c1-3-7-14(8-4-1)18-20-22-12-17-11-16(22)13-23(17)21-19-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/b20-18+,21-19+/t16-,17-/m0/s1
InChIKeyLKZCZXMUTDAQPG-ZQUSJICXSA-N
XLogP4.14
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene?
The IUPAC name of phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene (CID 10425266) is phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene.
What is the SMILES notation for phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene?
The canonical SMILES for phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene is c1ccc(/N=N/N2C[C@@H]3C[C@H]2CN3/N=N/c2ccccc2)cc1.
What is the InChIKey of phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene?
The InChIKey is LKZCZXMUTDAQPG-ZQUSJICXSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-7-14(8-4-1)18-20-22-12-17-11-16(22)13-23(17)21-19-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/b20-18+,21-19+/t16-,17-/m0/s1.
What are the key properties of phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene?
phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene has a molecular weight of 306.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1S,4S)-5-phenyldiazenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]diazene is sourced from PubChem (CID 10425266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).