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

C18H20N4O5 — CID 56945766

IUPAC5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H20N4O5/c1-23-13-7-6-11(8-14(13)24-2)18-19-20-21-22(18)12-9-15(25-3)17(27-5)16(10-12)26-4/h6-10H,1-5H3
InChIKeyFHIARIXTLWXFGT-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.37
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945766) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945766
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C18H20N4O5/c1-23-13-7-6-11(8-14(13)24-2)18-19-20-21-22(18)12-9-15(25-3)17(27-5)16(10-12)26-4/h6-10H,1-5H3
InChIKeyFHIARIXTLWXFGT-UHFFFAOYSA-N
XLogP2.37
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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
5-[1-(3,5-Diiodo-4-methoxyphenyl)tetrazol-5-yl]-2-methoxyphenol
CID 57383994
2-Methoxy-5-[1-(3,4,5-trimethoxyphenyl)tetrazol-5-yl]aniline
CID 9798818
4-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 11709873
2-Methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]phenol
CID 16109326
N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-YL]aniline
CID 16109329
4-(3-Fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 16109330
5-(3-Methoxy-phenyl)-1-(4-methoxy-phenyl)-1H-tetrazole
CID 649149
1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)-1H-tetrazole
CID 665835
N-methyl-1-[1-(2-methylphenyl)-1H-tetrazol-5-yl]-1-phenyl-N-(2,4,5-trimethoxybenzyl)methanamine
CID 2867844

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole (CID 56945766) is 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole is COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is FHIARIXTLWXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-23-13-7-6-11(8-14(13)24-2)18-19-20-21-22(18)12-9-15(25-3)17(27-5)16(10-12)26-4/h6-10H,1-5H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole?
5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 372.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).