2-(2-ethylphenyl)-5-phenyltetrazole

C15H14N4 — CID 23606527

IUPAC2-(2-ethylphenyl)-5-phenyltetrazole
SMILESCCc1ccccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4/c1-2-12-8-6-7-11-14(12)19-17-15(16-18-19)13-9-4-3-5-10-13/h3-11H,2H2,1H3
InChIKeyONPMKHVIUVXPIA-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-ethylphenyl)-5-phenyltetrazole

2-(2-ethylphenyl)-5-phenyltetrazole (PubChem CID 23606527) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(2-ethylphenyl)-5-phenyltetrazole
PubChem CID23606527
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-(2-ethylphenyl)-5-phenyltetrazole
SMILESCCc1ccccc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H14N4/c1-2-12-8-6-7-11-14(12)19-17-15(16-18-19)13-9-4-3-5-10-13/h3-11H,2H2,1H3
InChIKeyONPMKHVIUVXPIA-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-5-phenyltetrazole?
The IUPAC name of 2-(2-ethylphenyl)-5-phenyltetrazole (CID 23606527) is 2-(2-ethylphenyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(2-ethylphenyl)-5-phenyltetrazole?
The canonical SMILES for 2-(2-ethylphenyl)-5-phenyltetrazole is CCc1ccccc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-ethylphenyl)-5-phenyltetrazole?
The InChIKey is ONPMKHVIUVXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-12-8-6-7-11-14(12)19-17-15(16-18-19)13-9-4-3-5-10-13/h3-11H,2H2,1H3.
What are the key properties of 2-(2-ethylphenyl)-5-phenyltetrazole?
2-(2-ethylphenyl)-5-phenyltetrazole has a molecular weight of 250.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 23606527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).