1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one

C11H12N4O2 — CID 166338434

IUPAC1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
SMILESCOc1ccc(-n2nnnc2CC(C)=O)cc1
InChIInChI=1S/C11H12N4O2/c1-8(16)7-11-12-13-14-15(11)9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyXXOXPKQLONZUOV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.80
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one

1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one (PubChem CID 166338434) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
PubChem CID166338434
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
SMILESCOc1ccc(-n2nnnc2CC(C)=O)cc1
InChIInChI=1S/C11H12N4O2/c1-8(16)7-11-12-13-14-15(11)9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyXXOXPKQLONZUOV-UHFFFAOYSA-N
XLogP0.80
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 16799188
3,4,5-trimethoxy-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]aniline
CID 102263409
(4-methoxyphenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937802
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 18566113
3-chloro-1-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 30938356
(4-fluorophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938400
(4-bromophenyl)-[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30938413
N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 16799207
(3S)-1-(4-methoxyphenyl)-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 27443732
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
1-[4-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 30938201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one?
The IUPAC name of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one (CID 166338434) is 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one?
The canonical SMILES for 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one is COc1ccc(-n2nnnc2CC(C)=O)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one?
The InChIKey is XXOXPKQLONZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(16)7-11-12-13-14-15(11)9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one?
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one has a molecular weight of 232.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one is sourced from PubChem (CID 166338434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).