1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone

C16H14N4O — CID 24976373

IUPAC1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone
SMILESCc1ccc(C(=O)Cc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-12-7-9-13(10-8-12)15(21)11-16-17-18-19-20(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyJUYKHLJUDJOTAQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone

1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone (PubChem CID 24976373) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone
PubChem CID24976373
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone
SMILESCc1ccc(C(=O)Cc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-12-7-9-13(10-8-12)15(21)11-16-17-18-19-20(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyJUYKHLJUDJOTAQ-UHFFFAOYSA-N
XLogP2.40
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone (CID 24976373) is 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone is Cc1ccc(C(=O)Cc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone?
The InChIKey is JUYKHLJUDJOTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-7-9-13(10-8-12)15(21)11-16-17-18-19-20(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone?
1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone has a molecular weight of 278.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)ethanone is sourced from PubChem (CID 24976373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).