1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C19H22N6 — CID 5152494

IUPAC1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCc1ccc(C)c(N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N6/c1-15-8-9-16(2)18(14-15)23-10-12-24(13-11-23)19-20-21-22-25(19)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyJEMZTFFTDNRKRS-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 5152494) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID5152494
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCc1ccc(C)c(N2CCN(c3nnnn3-c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N6/c1-15-8-9-16(2)18(14-15)23-10-12-24(13-11-23)19-20-21-22-25(19)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyJEMZTFFTDNRKRS-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 5152494) is 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is Cc1ccc(C)c(N2CCN(c3nnnn3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is JEMZTFFTDNRKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-8-9-16(2)18(14-15)23-10-12-24(13-11-23)19-20-21-22-25(19)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 334.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 5152494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).