1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine

C18H20N6 — CID 705852

IUPAC1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESc1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N6/c1-3-7-16(8-4-1)15-22-11-13-23(14-12-22)18-19-20-21-24(18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyZFXFGUXYCCWUIV-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.98
Rot. Bonds4

About 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine

1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 705852) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID705852
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESc1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N6/c1-3-7-16(8-4-1)15-22-11-13-23(14-12-22)18-19-20-21-24(18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyZFXFGUXYCCWUIV-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine 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-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine (CID 705852) is 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine is c1ccc(CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is ZFXFGUXYCCWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-3-7-16(8-4-1)15-22-11-13-23(14-12-22)18-19-20-21-24(18)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine?
1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 320.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 705852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).