5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole

C19H13N5O2 — CID 19594090

IUPAC5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C19H13N5O2/c25-24(26)18-13-7-6-11-16(18)15-10-4-5-12-17(15)19-20-21-22-23(19)14-8-2-1-3-9-14/h1-13H
InChIKeyHSCJIGBMXPQDSG-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.90
Rot. Bonds4

About 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole

5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole (PubChem CID 19594090) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
PubChem CID19594090
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C19H13N5O2/c25-24(26)18-13-7-6-11-16(18)15-10-4-5-12-17(15)19-20-21-22-23(19)14-8-2-1-3-9-14/h1-13H
InChIKeyHSCJIGBMXPQDSG-UHFFFAOYSA-N
XLogP3.90
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole?
The IUPAC name of 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole (CID 19594090) is 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole.
What is the SMILES notation for 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole?
The canonical SMILES for 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole is O=[N+]([O-])c1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1.
What is the InChIKey of 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole?
The InChIKey is HSCJIGBMXPQDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c25-24(26)18-13-7-6-11-16(18)15-10-4-5-12-17(15)19-20-21-22-23(19)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole?
5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole has a molecular weight of 343.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-nitrophenyl)phenyl]-1-phenyltetrazole is sourced from PubChem (CID 19594090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).