5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

C11H12N8O2 — CID 654459

IUPAC5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1OC
InChIInChI=1S/C11H12N8O2/c1-20-8-4-3-7(5-9(8)21-2)11-14-18-19(15-11)6-10-12-16-17-13-10/h3-5H,6H2,1-2H3,(H,12,13,16,17)
InChIKeyHDLKKAYZJWLUKZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP-0.08
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole (PubChem CID 654459) has the molecular formula C11H12N8O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
PubChem CID654459
Molecular FormulaC11H12N8O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1OC
InChIInChI=1S/C11H12N8O2/c1-20-8-4-3-7(5-9(8)21-2)11-14-18-19(15-11)6-10-12-16-17-13-10/h3-5H,6H2,1-2H3,(H,12,13,16,17)
InChIKeyHDLKKAYZJWLUKZ-UHFFFAOYSA-N
XLogP-0.08
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole (CID 654459) is 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole is COc1ccc(-c2nnn(Cc3nn[nH]n3)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The InChIKey is HDLKKAYZJWLUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O2/c1-20-8-4-3-7(5-9(8)21-2)11-14-18-19(15-11)6-10-12-16-17-13-10/h3-5H,6H2,1-2H3,(H,12,13,16,17).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole has a molecular weight of 288.27 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole is sourced from PubChem (CID 654459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).