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

C9H10N4O2 — CID 601291

IUPAC5-(3,4-dimethoxyphenyl)-2H-tetrazole
SMILESCOc1ccc(-c2nn[nH]n2)cc1OC
InChIInChI=1S/C9H10N4O2/c1-14-7-4-3-6(5-8(7)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyWMRZMZRQOCOXLD-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.88
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-2H-tetrazole (PubChem CID 601291) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2H-tetrazole
PubChem CID601291
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-(3,4-dimethoxyphenyl)-2H-tetrazole
SMILESCOc1ccc(-c2nn[nH]n2)cc1OC
InChIInChI=1S/C9H10N4O2/c1-14-7-4-3-6(5-8(7)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyWMRZMZRQOCOXLD-UHFFFAOYSA-N
XLogP0.88
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2H-tetrazole (CID 601291) is 5-(3,4-dimethoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2H-tetrazole is COc1ccc(-c2nn[nH]n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2H-tetrazole?
The InChIKey is WMRZMZRQOCOXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-14-7-4-3-6(5-8(7)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2H-tetrazole?
5-(3,4-dimethoxyphenyl)-2H-tetrazole has a molecular weight of 206.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 601291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).