1-benzyl-5-(furan-2-yl)tetrazole

C12H10N4O — CID 763759

IUPAC1-benzyl-5-(furan-2-yl)tetrazole
SMILESc1ccc(Cn2nnnc2-c2ccco2)cc1
InChIInChI=1S/C12H10N4O/c1-2-5-10(6-3-1)9-16-12(13-14-15-16)11-7-4-8-17-11/h1-8H,9H2
InChIKeyWHVCPILBSDIJJE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.98
Rot. Bonds3

About 1-benzyl-5-(furan-2-yl)tetrazole

1-benzyl-5-(furan-2-yl)tetrazole (PubChem CID 763759) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-benzyl-5-(furan-2-yl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(furan-2-yl)tetrazole
PubChem CID763759
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-benzyl-5-(furan-2-yl)tetrazole
SMILESc1ccc(Cn2nnnc2-c2ccco2)cc1
InChIInChI=1S/C12H10N4O/c1-2-5-10(6-3-1)9-16-12(13-14-15-16)11-7-4-8-17-11/h1-8H,9H2
InChIKeyWHVCPILBSDIJJE-UHFFFAOYSA-N
XLogP1.98
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-(furan-2-yl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(furan-2-yl)tetrazole?
The IUPAC name of 1-benzyl-5-(furan-2-yl)tetrazole (CID 763759) is 1-benzyl-5-(furan-2-yl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(furan-2-yl)tetrazole?
The canonical SMILES for 1-benzyl-5-(furan-2-yl)tetrazole is c1ccc(Cn2nnnc2-c2ccco2)cc1.
What is the InChIKey of 1-benzyl-5-(furan-2-yl)tetrazole?
The InChIKey is WHVCPILBSDIJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-5-10(6-3-1)9-16-12(13-14-15-16)11-7-4-8-17-11/h1-8H,9H2.
What are the key properties of 1-benzyl-5-(furan-2-yl)tetrazole?
1-benzyl-5-(furan-2-yl)tetrazole has a molecular weight of 226.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(furan-2-yl)tetrazole is sourced from PubChem (CID 763759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).