5-benzyl-5-(methoxymethyl)tetrazole

C10H12N4O — CID 91116047

IUPAC5-benzyl-5-(methoxymethyl)tetrazole
SMILESCOCC1(Cc2ccccc2)N=NN=N1
InChIInChI=1S/C10H12N4O/c1-15-8-10(11-13-14-12-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyZEZGFJLJTGEIIZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.40
Rot. Bonds4

About 5-benzyl-5-(methoxymethyl)tetrazole

5-benzyl-5-(methoxymethyl)tetrazole (PubChem CID 91116047) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-benzyl-5-(methoxymethyl)tetrazole.

Molecular Properties

Compound Name5-benzyl-5-(methoxymethyl)tetrazole
PubChem CID91116047
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-benzyl-5-(methoxymethyl)tetrazole
SMILESCOCC1(Cc2ccccc2)N=NN=N1
InChIInChI=1S/C10H12N4O/c1-15-8-10(11-13-14-12-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyZEZGFJLJTGEIIZ-UHFFFAOYSA-N
XLogP2.40
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-(methoxymethyl)tetrazole?
The IUPAC name of 5-benzyl-5-(methoxymethyl)tetrazole (CID 91116047) is 5-benzyl-5-(methoxymethyl)tetrazole.
What is the SMILES notation for 5-benzyl-5-(methoxymethyl)tetrazole?
The canonical SMILES for 5-benzyl-5-(methoxymethyl)tetrazole is COCC1(Cc2ccccc2)N=NN=N1.
What is the InChIKey of 5-benzyl-5-(methoxymethyl)tetrazole?
The InChIKey is ZEZGFJLJTGEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-8-10(11-13-14-12-10)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 5-benzyl-5-(methoxymethyl)tetrazole?
5-benzyl-5-(methoxymethyl)tetrazole has a molecular weight of 204.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-(methoxymethyl)tetrazole is sourced from PubChem (CID 91116047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).