5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole

C17H18N4O3 — CID 56945763

IUPAC5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C17H18N4O3/c1-11-5-7-12(8-6-11)17-18-19-20-21(17)13-9-14(22-2)16(24-4)15(10-13)23-3/h5-10H,1-4H3
InChIKeyPWBDLOAFLCAQKX-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.66
Rot. Bonds5

About 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole

5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945763) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945763
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C17H18N4O3/c1-11-5-7-12(8-6-11)17-18-19-20-21(17)13-9-14(22-2)16(24-4)15(10-13)23-3/h5-10H,1-4H3
InChIKeyPWBDLOAFLCAQKX-UHFFFAOYSA-N
XLogP2.66
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
CID 56945884
5-(3-Chloro-4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
CID 56945885
1-(4-Ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
CID 56945990
1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
2-Methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]aniline
CID 9798818
4-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-yl)-benzonitrile
CID 646480
1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-tetrazole
CID 665835
1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237053
5-(4-Methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237186
5-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237187
5-(4-Ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237316
5-(4-Propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 46237320

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole (CID 56945763) is 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole is COc1cc(-n2nnnc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is PWBDLOAFLCAQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-5-7-12(8-6-11)17-18-19-20-21(17)13-9-14(22-2)16(24-4)15(10-13)23-3/h5-10H,1-4H3.
What are the key properties of 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 326.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).