5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium

C15H12N9+ — CID 74007022

IUPAC5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium
SMILESNN=N/N=N/C#Cc1nn(-c2ccccc2)[n+](-c2ccccc2)n1
InChIInChI=1S/C15H12N9/c16-20-22-21-17-12-11-15-18-23(13-7-3-1-4-8-13)24(19-15)14-9-5-2-6-10-14/h1-10H,(H2,16,17,22)/q+1
InChIKeyJUEXWBSQWAPLSF-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.55
Rot. Bonds3

About 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium

5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium (PubChem CID 74007022) has the molecular formula C15H12N9+ and a molecular weight of 318.32 g/mol. Its IUPAC name is 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium.

Molecular Properties

Compound Name5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium
PubChem CID74007022
Molecular FormulaC15H12N9+
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium
SMILESNN=N/N=N/C#Cc1nn(-c2ccccc2)[n+](-c2ccccc2)n1
InChIInChI=1S/C15H12N9/c16-20-22-21-17-12-11-15-18-23(13-7-3-1-4-8-13)24(19-15)14-9-5-2-6-10-14/h1-10H,(H2,16,17,22)/q+1
InChIKeyJUEXWBSQWAPLSF-UHFFFAOYSA-N
XLogP1.55
TPSA110.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium?
The IUPAC name of 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium (CID 74007022) is 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium.
What is the SMILES notation for 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium?
The canonical SMILES for 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium is NN=N/N=N/C#Cc1nn(-c2ccccc2)[n+](-c2ccccc2)n1.
What is the InChIKey of 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium?
The InChIKey is JUEXWBSQWAPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N9/c16-20-22-21-17-12-11-15-18-23(13-7-3-1-4-8-13)24(19-15)14-9-5-2-6-10-14/h1-10H,(H2,16,17,22)/q+1.
What are the key properties of 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium?
5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium has a molecular weight of 318.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(aminodiazenyl)diazenyl]ethynyl]-2,3-diphenyltetrazol-2-ium is sourced from PubChem (CID 74007022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).