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

C17H18N6 — CID 710950

IUPAC1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C17H18N6/c1-3-7-15(8-4-1)21-11-13-22(14-12-21)17-18-19-20-23(17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyMLKOOYZIYKTZDU-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.99
Rot. Bonds3

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

1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 710950) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID710950
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C17H18N6/c1-3-7-15(8-4-1)21-11-13-22(14-12-21)17-18-19-20-23(17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyMLKOOYZIYKTZDU-UHFFFAOYSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-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-phenyl-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine (CID 710950) is 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine is c1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is MLKOOYZIYKTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-3-7-15(8-4-1)21-11-13-22(14-12-21)17-18-19-20-23(17)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine?
1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 306.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 710950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).