1-(4-methoxyphenyl)-5-phenyltetrazole

C14H12N4O — CID 759777

IUPAC1-(4-methoxyphenyl)-5-phenyltetrazole
SMILESCOc1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O/c1-19-13-9-7-12(8-10-13)18-14(15-16-17-18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyVLWYMAKDVFVNRA-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-phenyltetrazole

1-(4-methoxyphenyl)-5-phenyltetrazole (PubChem CID 759777) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-phenyltetrazole
PubChem CID759777
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-(4-methoxyphenyl)-5-phenyltetrazole
SMILESCOc1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C14H12N4O/c1-19-13-9-7-12(8-10-13)18-14(15-16-17-18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyVLWYMAKDVFVNRA-UHFFFAOYSA-N
XLogP2.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

PS-13 C-11
CID 138320044
Asp-6537
CID 9922739
5-[1-(3,5-Diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol
CID 57383994
1-(4-Methoxy-phenyl)-5-phenyl-1H-[1,2,4]triazole-3-carboxylic acid dimethylamide
CID 6473372
1-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 4519665
Benzenamine, 4-methyl-N-[2-[1-(4-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5377685
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
5-(3-Methoxy-phenyl)-1-(4-methoxy-phenyl)-1H-tetrazole
CID 649149
3-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-yl]-pyridine
CID 649801
1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-tetrazole
CID 665835
4-(4-ethoxyphenyl)-3,5-diphenyl-4H-1,2,4-triazole
CID 798454
1-(4-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxylic acid
CID 900934

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-phenyltetrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-phenyltetrazole (CID 759777) is 1-(4-methoxyphenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-phenyltetrazole is COc1ccc(-n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-phenyltetrazole?
The InChIKey is VLWYMAKDVFVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-13-9-7-12(8-10-13)18-14(15-16-17-18)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-phenyltetrazole?
1-(4-methoxyphenyl)-5-phenyltetrazole has a molecular weight of 252.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-phenyltetrazole is sourced from PubChem (CID 759777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).