1-(4-nitrophenyl)-5-phenyltetrazole

C13H9N5O2 — CID 4252743

IUPAC1-(4-nitrophenyl)-5-phenyltetrazole
SMILESO=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C13H9N5O2/c19-18(20)12-8-6-11(7-9-12)17-13(14-15-16-17)10-4-2-1-3-5-10/h1-9H
InChIKeyQYEKBWOTNYGGKS-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.24
Rot. Bonds3

About 1-(4-nitrophenyl)-5-phenyltetrazole

1-(4-nitrophenyl)-5-phenyltetrazole (PubChem CID 4252743) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-nitrophenyl)-5-phenyltetrazole
PubChem CID4252743
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name1-(4-nitrophenyl)-5-phenyltetrazole
SMILESO=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C13H9N5O2/c19-18(20)12-8-6-11(7-9-12)17-13(14-15-16-17)10-4-2-1-3-5-10/h1-9H
InChIKeyQYEKBWOTNYGGKS-UHFFFAOYSA-N
XLogP2.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.24
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 1-(4-nitrophenyl)-5-phenyltetrazole?
The IUPAC name of 1-(4-nitrophenyl)-5-phenyltetrazole (CID 4252743) is 1-(4-nitrophenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-nitrophenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-nitrophenyl)-5-phenyltetrazole is O=[N+]([O-])c1ccc(-n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-5-phenyltetrazole?
The InChIKey is QYEKBWOTNYGGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-18(20)12-8-6-11(7-9-12)17-13(14-15-16-17)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(4-nitrophenyl)-5-phenyltetrazole?
1-(4-nitrophenyl)-5-phenyltetrazole has a molecular weight of 267.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-5-phenyltetrazole is sourced from PubChem (CID 4252743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).