1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine

C14H19N5 — CID 82514067

IUPAC1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine
SMILESc1ccc(-c2nncn2CCN2CCNCC2)cc1
InChIInChI=1S/C14H19N5/c1-2-4-13(5-3-1)14-17-16-12-19(14)11-10-18-8-6-15-7-9-18/h1-5,12,15H,6-11H2
InChIKeyPUACWHSTJXULMM-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.85
Rot. Bonds4

About 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine

1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine (PubChem CID 82514067) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine
PubChem CID82514067
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine
SMILESc1ccc(-c2nncn2CCN2CCNCC2)cc1
InChIInChI=1S/C14H19N5/c1-2-4-13(5-3-1)14-17-16-12-19(14)11-10-18-8-6-15-7-9-18/h1-5,12,15H,6-11H2
InChIKeyPUACWHSTJXULMM-UHFFFAOYSA-N
XLogP0.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-phenylimidazol-1-yl)ethyl]piperazine
CID 82514024
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
3-phenyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353255
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
N-phenyl-1-(2-piperazin-1-ylethyl)pyrazol-4-amine
CID 174722510
1-pentylpiperazine;toluene
CID 68982278
1-(3-phenoxypropyl)piperazine
CID 2760351
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
5-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
CID 68697914
2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine
CID 157285387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine (CID 82514067) is 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine is c1ccc(-c2nncn2CCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine?
The InChIKey is PUACWHSTJXULMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-4-13(5-3-1)14-17-16-12-19(14)11-10-18-8-6-15-7-9-18/h1-5,12,15H,6-11H2.
What are the key properties of 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine?
1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine has a molecular weight of 257.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenyl-1,2,4-triazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 82514067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).