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

C19H22N4O6 — CID 56945767

IUPAC1,5-bis(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O6/c1-24-13-7-11(8-14(25-2)17(13)28-5)19-20-21-22-23(19)12-9-15(26-3)18(29-6)16(10-12)27-4/h7-10H,1-6H3
InChIKeyPDLXRDCJDMKHSG-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.38
Rot. Bonds8

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

1,5-bis(3,4,5-trimethoxyphenyl)tetrazole (PubChem CID 56945767) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1,5-bis(3,4,5-trimethoxyphenyl)tetrazole
PubChem CID56945767
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC Name1,5-bis(3,4,5-trimethoxyphenyl)tetrazole
SMILESCOc1cc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O6/c1-24-13-7-11(8-14(25-2)17(13)28-5)19-20-21-22-23(19)12-9-15(26-3)18(29-6)16(10-12)27-4/h7-10H,1-6H3
InChIKeyPDLXRDCJDMKHSG-UHFFFAOYSA-N
XLogP2.38
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole?
The IUPAC name of 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole (CID 56945767) is 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole.
What is the SMILES notation for 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole?
The canonical SMILES for 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole is COc1cc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole?
The InChIKey is PDLXRDCJDMKHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6/c1-24-13-7-11(8-14(25-2)17(13)28-5)19-20-21-22-23(19)12-9-15(26-3)18(29-6)16(10-12)27-4/h7-10H,1-6H3.
What are the key properties of 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole?
1,5-bis(3,4,5-trimethoxyphenyl)tetrazole has a molecular weight of 402.41 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,4,5-trimethoxyphenyl)tetrazole is sourced from PubChem (CID 56945767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).