azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C16H17N5 — CID 138453615

IUPACazaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILES[N-]=[N+]=Nc1cc2ccc1CCc1ccc(cc1)CC2.[N-]=[NH2+]
InChIInChI=1S/C16H15N3.H2N2/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14;1-2/h1-4,8,10-11H,5-7,9H2;1H2
InChIKeyMDOMTFNYWHWANZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.28
Rot. Bonds1

About azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 138453615) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Nameazaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID138453615
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Nameazaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILES[N-]=[N+]=Nc1cc2ccc1CCc1ccc(cc1)CC2.[N-]=[NH2+]
InChIInChI=1S/C16H15N3.H2N2/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14;1-2/h1-4,8,10-11H,5-7,9H2;1H2
InChIKeyMDOMTFNYWHWANZ-UHFFFAOYSA-N
XLogP3.28
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 138453615) is azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is [N-]=[N+]=Nc1cc2ccc1CCc1ccc(cc1)CC2.[N-]=[NH2+].
What is the InChIKey of azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is MDOMTFNYWHWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3.H2N2/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14;1-2/h1-4,8,10-11H,5-7,9H2;1H2.
What are the key properties of azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 279.35 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azaniumylideneazanide;5-azidotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 138453615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).