5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine

C22H22FN5 — CID 42395306

IUPAC5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine
SMILESFc1cccc(-c2cnnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H22FN5/c23-20-10-4-9-19(16-20)21-17-24-26-22(25-21)28-14-12-27(13-15-28)11-5-8-18-6-2-1-3-7-18/h1-10,16-17H,11-15H2/b8-5+
InChIKeyASYLROVXKWYAOO-VMPITWQZSA-N
MW375.45 g/mol
LogP3.51
Rot. Bonds5

About 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine

5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine (PubChem CID 42395306) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine
PubChem CID42395306
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine
SMILESFc1cccc(-c2cnnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)c1
InChIInChI=1S/C22H22FN5/c23-20-10-4-9-19(16-20)21-17-24-26-22(25-21)28-14-12-27(13-15-28)11-5-8-18-6-2-1-3-7-18/h1-10,16-17H,11-15H2/b8-5+
InChIKeyASYLROVXKWYAOO-VMPITWQZSA-N
XLogP3.51
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine?
The IUPAC name of 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine (CID 42395306) is 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine is Fc1cccc(-c2cnnc(N3CCN(C/C=C/c4ccccc4)CC3)n2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine?
The InChIKey is ASYLROVXKWYAOO-VMPITWQZSA-N. The full InChI is InChI=1S/C22H22FN5/c23-20-10-4-9-19(16-20)21-17-24-26-22(25-21)28-14-12-27(13-15-28)11-5-8-18-6-2-1-3-7-18/h1-10,16-17H,11-15H2/b8-5+.
What are the key properties of 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine?
5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine has a molecular weight of 375.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 42395306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).