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

C16H16N4O3 — CID 56945646

IUPAC5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C16H16N4O3/c1-21-13-9-12(10-14(22-2)15(13)23-3)20-16(17-18-19-20)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyMVPDBLRMCVTACO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.36
Rot. Bonds5

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

5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945646) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945646
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C16H16N4O3/c1-21-13-9-12(10-14(22-2)15(13)23-3)20-16(17-18-19-20)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyMVPDBLRMCVTACO-UHFFFAOYSA-N
XLogP2.36
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole (CID 56945646) is 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole is COc1cc(-n2nnnc2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is MVPDBLRMCVTACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-21-13-9-12(10-14(22-2)15(13)23-3)20-16(17-18-19-20)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole?
5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 312.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).