4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole

C21H16N6 — CID 13125624

IUPAC4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole
SMILES[N-]=[N+]=NC(c1ccccc1)(c1ccccc1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C21H16N6/c22-26-25-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(23-27-24-20)16-10-4-1-5-11-16/h1-15H,(H,23,24,27)
InChIKeySZLFKEFOWAWJFS-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.07
Rot. Bonds5

About 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole

4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole (PubChem CID 13125624) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole.

Molecular Properties

Compound Name4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole
PubChem CID13125624
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole
SMILES[N-]=[N+]=NC(c1ccccc1)(c1ccccc1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C21H16N6/c22-26-25-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(23-27-24-20)16-10-4-1-5-11-16/h1-15H,(H,23,24,27)
InChIKeySZLFKEFOWAWJFS-UHFFFAOYSA-N
XLogP5.07
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole?
The IUPAC name of 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole (CID 13125624) is 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole.
What is the SMILES notation for 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole?
The canonical SMILES for 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole is [N-]=[N+]=NC(c1ccccc1)(c1ccccc1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole?
The InChIKey is SZLFKEFOWAWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c22-26-25-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-19(23-27-24-20)16-10-4-1-5-11-16/h1-15H,(H,23,24,27).
What are the key properties of 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole?
4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole has a molecular weight of 352.40 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azido(diphenyl)methyl]-5-phenyl-2H-triazole is sourced from PubChem (CID 13125624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).