2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone

C19H20N4O — CID 7712989

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1ccc(-c2nnn(CC(=O)c3cc(C)c(C)cc3C)n2)cc1
InChIInChI=1S/C19H20N4O/c1-12-5-7-16(8-6-12)19-20-22-23(21-19)11-18(24)17-10-14(3)13(2)9-15(17)4/h5-10H,11H2,1-4H3
InChIKeyDVERYZVEUNIRJH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.46
Rot. Bonds4

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone

2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 7712989) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID7712989
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1ccc(-c2nnn(CC(=O)c3cc(C)c(C)cc3C)n2)cc1
InChIInChI=1S/C19H20N4O/c1-12-5-7-16(8-6-12)19-20-22-23(21-19)11-18(24)17-10-14(3)13(2)9-15(17)4/h5-10H,11H2,1-4H3
InChIKeyDVERYZVEUNIRJH-UHFFFAOYSA-N
XLogP3.46
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465605
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7712985
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 7490677
1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7713086
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 16517930
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465644
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone (CID 7712989) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone is Cc1ccc(-c2nnn(CC(=O)c3cc(C)c(C)cc3C)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is DVERYZVEUNIRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-5-7-16(8-6-12)19-20-22-23(21-19)11-18(24)17-10-14(3)13(2)9-15(17)4/h5-10H,11H2,1-4H3.
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone?
2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 320.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 7712989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).