5-benzyl-2-phenyltetrazole

C14H12N4 — CID 30034688

IUPAC5-benzyl-2-phenyltetrazole
SMILESc1ccc(Cc2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N4/c1-3-7-12(8-4-1)11-14-15-17-18(16-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyREVOLZKVRFTWJB-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.25
Rot. Bonds3

About 5-benzyl-2-phenyltetrazole

5-benzyl-2-phenyltetrazole (PubChem CID 30034688) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-benzyl-2-phenyltetrazole.

Molecular Properties

Compound Name5-benzyl-2-phenyltetrazole
PubChem CID30034688
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name5-benzyl-2-phenyltetrazole
SMILESc1ccc(Cc2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H12N4/c1-3-7-12(8-4-1)11-14-15-17-18(16-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyREVOLZKVRFTWJB-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-phenyltetrazole?
The IUPAC name of 5-benzyl-2-phenyltetrazole (CID 30034688) is 5-benzyl-2-phenyltetrazole.
What is the SMILES notation for 5-benzyl-2-phenyltetrazole?
The canonical SMILES for 5-benzyl-2-phenyltetrazole is c1ccc(Cc2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-benzyl-2-phenyltetrazole?
The InChIKey is REVOLZKVRFTWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-3-7-12(8-4-1)11-14-15-17-18(16-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-benzyl-2-phenyltetrazole?
5-benzyl-2-phenyltetrazole has a molecular weight of 236.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-phenyltetrazole is sourced from PubChem (CID 30034688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).