5-(4-methylphenoxy)-2H-tetrazole

C8H8N4O — CID 5152789

IUPAC5-(4-methylphenoxy)-2H-tetrazole
SMILESCc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4O/c1-6-2-4-7(5-3-6)13-8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyMDZNENQZZRVEDI-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.30
Rot. Bonds2

About 5-(4-methylphenoxy)-2H-tetrazole

5-(4-methylphenoxy)-2H-tetrazole (PubChem CID 5152789) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(4-methylphenoxy)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-methylphenoxy)-2H-tetrazole
PubChem CID5152789
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(4-methylphenoxy)-2H-tetrazole
SMILESCc1ccc(Oc2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4O/c1-6-2-4-7(5-3-6)13-8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKeyMDZNENQZZRVEDI-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)-2H-tetrazole?
The IUPAC name of 5-(4-methylphenoxy)-2H-tetrazole (CID 5152789) is 5-(4-methylphenoxy)-2H-tetrazole.
What is the SMILES notation for 5-(4-methylphenoxy)-2H-tetrazole?
The canonical SMILES for 5-(4-methylphenoxy)-2H-tetrazole is Cc1ccc(Oc2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-methylphenoxy)-2H-tetrazole?
The InChIKey is MDZNENQZZRVEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-2-4-7(5-3-6)13-8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12).
What are the key properties of 5-(4-methylphenoxy)-2H-tetrazole?
5-(4-methylphenoxy)-2H-tetrazole has a molecular weight of 176.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)-2H-tetrazole is sourced from PubChem (CID 5152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).