1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine

C19H19ClFN5 — CID 120846505

IUPAC1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine
SMILESFc1cccc(C2CNCCN2Cc2ccc(Cl)cc2-n2cncn2)c1
InChIInChI=1S/C19H19ClFN5/c20-16-5-4-15(18(9-16)26-13-23-12-24-26)11-25-7-6-22-10-19(25)14-2-1-3-17(21)8-14/h1-5,8-9,12-13,19,22H,6-7,10-11H2
InChIKeyRLHNIZXLCNWFQW-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.21
Rot. Bonds4

About 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine

1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine (PubChem CID 120846505) has the molecular formula C19H19ClFN5 and a molecular weight of 371.85 g/mol. Its IUPAC name is 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine
PubChem CID120846505
Molecular FormulaC19H19ClFN5
Molecular Weight371.85 g/mol
Exact Mass371.13
IUPAC Name1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine
SMILESFc1cccc(C2CNCCN2Cc2ccc(Cl)cc2-n2cncn2)c1
InChIInChI=1S/C19H19ClFN5/c20-16-5-4-15(18(9-16)26-13-23-12-24-26)11-25-7-6-22-10-19(25)14-2-1-3-17(21)8-14/h1-5,8-9,12-13,19,22H,6-7,10-11H2
InChIKeyRLHNIZXLCNWFQW-UHFFFAOYSA-N
XLogP3.21
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)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-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine (CID 120846505) is 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine is Fc1cccc(C2CNCCN2Cc2ccc(Cl)cc2-n2cncn2)c1.
What is the InChIKey of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine?
The InChIKey is RLHNIZXLCNWFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5/c20-16-5-4-15(18(9-16)26-13-23-12-24-26)11-25-7-6-22-10-19(25)14-2-1-3-17(21)8-14/h1-5,8-9,12-13,19,22H,6-7,10-11H2.
What are the key properties of 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine?
1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine has a molecular weight of 371.85 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 120846505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).