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

C17H18N4O4 — CID 56945989

IUPAC1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18N4O4/c1-22-13-7-5-12(6-8-13)21-17(18-19-20-21)11-9-14(23-2)16(25-4)15(10-11)24-3/h5-10H,1-4H3
InChIKeyMYIRRKSRFOPOET-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.36
Rot. Bonds6

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

1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945989) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945989
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H18N4O4/c1-22-13-7-5-12(6-8-13)21-17(18-19-20-21)11-9-14(23-2)16(25-4)15(10-11)24-3/h5-10H,1-4H3
InChIKeyMYIRRKSRFOPOET-UHFFFAOYSA-N
XLogP2.36
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole (CID 56945989) is 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole is COc1ccc(-n2nnnc2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is MYIRRKSRFOPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-22-13-7-5-12(6-8-13)21-17(18-19-20-21)11-9-14(23-2)16(25-4)15(10-11)24-3/h5-10H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole?
1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 342.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).