5-(2-methoxyphenyl)-2H-tetrazole

C8H8N4O — CID 858908

IUPAC5-(2-methoxyphenyl)-2H-tetrazole
SMILESCOc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H8N4O/c1-13-7-5-3-2-4-6(7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyANGNJNYCUCJQJV-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.88
Rot. Bonds2

About 5-(2-methoxyphenyl)-2H-tetrazole

5-(2-methoxyphenyl)-2H-tetrazole (PubChem CID 858908) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2H-tetrazole
PubChem CID858908
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(2-methoxyphenyl)-2H-tetrazole
SMILESCOc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C8H8N4O/c1-13-7-5-3-2-4-6(7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyANGNJNYCUCJQJV-UHFFFAOYSA-N
XLogP0.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(2-methoxyphenyl)-2H-tetrazole (CID 858908) is 5-(2-methoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(2-methoxyphenyl)-2H-tetrazole is COc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 5-(2-methoxyphenyl)-2H-tetrazole?
The InChIKey is ANGNJNYCUCJQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-13-7-5-3-2-4-6(7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12).
What are the key properties of 5-(2-methoxyphenyl)-2H-tetrazole?
5-(2-methoxyphenyl)-2H-tetrazole has a molecular weight of 176.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 858908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).