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

C16H14N4O — CID 680769

IUPAC1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O/c1-12-7-9-13(10-8-12)15(21)11-20-18-16(17-19-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyQLXSTCVSPXYBAT-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.53
Rot. Bonds4

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

1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 680769) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID680769
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O/c1-12-7-9-13(10-8-12)15(21)11-20-18-16(17-19-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyQLXSTCVSPXYBAT-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)ethanone
CID 853140
N-hydroxy-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135357401
4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357457
4-[(5-benzyltetrazol-2-yl)methyl]-N-hydroxybenzamide
CID 135357575
N-hydroxy-4-[[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]benzamide
CID 135358004
2-(5-phenyl(1,2,3,4-tetraazol-2-yl))-N-(phenylcarbonylamino)acetamide
CID 855977
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]benzamide
CID 497168
1-Azolyl-4-phenyl-2-butanone, 43
CID 44604419
1-(4-Chlorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 1241565
1-(4-Chlorophenyl)-2-(5-phenyl-2H-tetrazol-2-yl)ethanone
CID 764064
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-p-tolyl-ethanone
CID 1463683
1-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]ethanone
CID 121506557

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 680769) is 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone is Cc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is QLXSTCVSPXYBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-7-9-13(10-8-12)15(21)11-20-18-16(17-19-20)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 278.31 g/mol, XLogP of 2.53, 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-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 680769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).