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

C10H12N4O3 — CID 3378546

IUPAC1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-n2cnnn2)cc(OC)c1OC
InChIInChI=1S/C10H12N4O3/c1-15-8-4-7(14-6-11-12-13-14)5-9(16-2)10(8)17-3/h4-6H,1-3H3
InChIKeyUJSCCEXRAYMZCY-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.69
Rot. Bonds4

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

1-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 3378546) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID3378546
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-n2cnnn2)cc(OC)c1OC
InChIInChI=1S/C10H12N4O3/c1-15-8-4-7(14-6-11-12-13-14)5-9(16-2)10(8)17-3/h4-6H,1-3H3
InChIKeyUJSCCEXRAYMZCY-UHFFFAOYSA-N
XLogP0.69
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)tetrazole (CID 3378546) is 1-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)tetrazole is COc1cc(-n2cnnn2)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is UJSCCEXRAYMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-15-8-4-7(14-6-11-12-13-14)5-9(16-2)10(8)17-3/h4-6H,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)tetrazole?
1-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 236.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 3378546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).