5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole

C16H14N4 — CID 11043570

IUPAC5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole
SMILESCc1ccc(/C=C/c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C16H14N4/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16-17-19-20-18-16/h2-11H,1H3,(H,17,18,19,20)/b7-6+
InChIKeyOFPOISFUZSJSRP-VOTSOKGWSA-N
MW262.32 g/mol
LogP3.35
Rot. Bonds3

About 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole

5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole (PubChem CID 11043570) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole
PubChem CID11043570
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole
SMILESCc1ccc(/C=C/c2ccc(-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C16H14N4/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16-17-19-20-18-16/h2-11H,1H3,(H,17,18,19,20)/b7-6+
InChIKeyOFPOISFUZSJSRP-VOTSOKGWSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
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5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
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5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole (CID 11043570) is 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole is Cc1ccc(/C=C/c2ccc(-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole?
The InChIKey is OFPOISFUZSJSRP-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N4/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16-17-19-20-18-16/h2-11H,1H3,(H,17,18,19,20)/b7-6+.
What are the key properties of 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole?
5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole has a molecular weight of 262.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 11043570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).