5-(phenoxymethyl)-2H-tetrazole

C8H8N4O — CID 8005210

IUPAC5-(phenoxymethyl)-2H-tetrazole
SMILESc1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4O/c1-2-4-7(5-3-1)13-6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChIKeyOKACIACGQZSZRA-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.78
Rot. Bonds3

About 5-(phenoxymethyl)-2H-tetrazole

5-(phenoxymethyl)-2H-tetrazole (PubChem CID 8005210) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(phenoxymethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-2H-tetrazole
PubChem CID8005210
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(phenoxymethyl)-2H-tetrazole
SMILESc1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C8H8N4O/c1-2-4-7(5-3-1)13-6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChIKeyOKACIACGQZSZRA-UHFFFAOYSA-N
XLogP0.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-2H-tetrazole?
The IUPAC name of 5-(phenoxymethyl)-2H-tetrazole (CID 8005210) is 5-(phenoxymethyl)-2H-tetrazole.
What is the SMILES notation for 5-(phenoxymethyl)-2H-tetrazole?
The canonical SMILES for 5-(phenoxymethyl)-2H-tetrazole is c1ccc(OCc2nn[nH]n2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-2H-tetrazole?
The InChIKey is OKACIACGQZSZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-2-4-7(5-3-1)13-6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12).
What are the key properties of 5-(phenoxymethyl)-2H-tetrazole?
5-(phenoxymethyl)-2H-tetrazole has a molecular weight of 176.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-2H-tetrazole is sourced from PubChem (CID 8005210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).