1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine

C20H23N5 — CID 142709635

IUPAC1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
SMILESc1ccc(-c2cnnn2CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N5/c1-3-7-18(8-4-1)20-17-21-22-25(20)16-13-23-11-14-24(15-12-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChIKeyPBCGWTGQBCGSHF-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.77
Rot. Bonds5

About 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine

1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine (PubChem CID 142709635) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
PubChem CID142709635
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
SMILESc1ccc(-c2cnnn2CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N5/c1-3-7-18(8-4-1)20-17-21-22-25(20)16-13-23-11-14-24(15-12-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChIKeyPBCGWTGQBCGSHF-UHFFFAOYSA-N
XLogP2.77
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine (CID 142709635) is 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine is c1ccc(-c2cnnn2CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine?
The InChIKey is PBCGWTGQBCGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-7-18(8-4-1)20-17-21-22-25(20)16-13-23-11-14-24(15-12-23)19-9-5-2-6-10-19/h1-10,17H,11-16H2.
What are the key properties of 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine?
1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine has a molecular weight of 333.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 142709635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).