2-benzyl-5-(4-methoxyphenyl)tetrazole

C15H14N4O — CID 6491488

IUPAC2-benzyl-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-20-14-9-7-13(8-10-14)15-16-18-19(17-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLCTHWPDKZFAEED-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.40
Rot. Bonds4

About 2-benzyl-5-(4-methoxyphenyl)tetrazole

2-benzyl-5-(4-methoxyphenyl)tetrazole (PubChem CID 6491488) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-benzyl-5-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-benzyl-5-(4-methoxyphenyl)tetrazole
PubChem CID6491488
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-benzyl-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnn(Cc3ccccc3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-20-14-9-7-13(8-10-14)15-16-18-19(17-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyLCTHWPDKZFAEED-UHFFFAOYSA-N
XLogP2.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-methoxyphenyl)tetrazole?
The IUPAC name of 2-benzyl-5-(4-methoxyphenyl)tetrazole (CID 6491488) is 2-benzyl-5-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 2-benzyl-5-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 2-benzyl-5-(4-methoxyphenyl)tetrazole is COc1ccc(-c2nnn(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-benzyl-5-(4-methoxyphenyl)tetrazole?
The InChIKey is LCTHWPDKZFAEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-14-9-7-13(8-10-14)15-16-18-19(17-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-benzyl-5-(4-methoxyphenyl)tetrazole?
2-benzyl-5-(4-methoxyphenyl)tetrazole has a molecular weight of 266.30 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 2-benzyl-5-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 6491488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).