3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine

C20H19FN4 — CID 45035403

IUPAC3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
SMILESFc1ccccc1-c1nnc(-c2ccccc2)c(N2CCCCC2)n1
InChIInChI=1S/C20H19FN4/c21-17-12-6-5-11-16(17)19-22-20(25-13-7-2-8-14-25)18(23-24-19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyQZCZTKWNVCQFNW-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.34
Rot. Bonds3

About 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine

3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine (PubChem CID 45035403) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
PubChem CID45035403
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
SMILESFc1ccccc1-c1nnc(-c2ccccc2)c(N2CCCCC2)n1
InChIInChI=1S/C20H19FN4/c21-17-12-6-5-11-16(17)19-22-20(25-13-7-2-8-14-25)18(23-24-19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyQZCZTKWNVCQFNW-UHFFFAOYSA-N
XLogP4.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine 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

6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 52940447
6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 6401390
5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
CID 67364048
3-(2-fluorophenyl)-6-phenyl-5-propoxy-1,2,4-triazine
CID 6409536
6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 6405105
6-phenyl-3-pyridin-2-yl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-triazine
CID 45099949
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
CID 25133120
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
CID 6415168
5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
CID 59517761
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
The IUPAC name of 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine (CID 45035403) is 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
The canonical SMILES for 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine is Fc1ccccc1-c1nnc(-c2ccccc2)c(N2CCCCC2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
The InChIKey is QZCZTKWNVCQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c21-17-12-6-5-11-16(17)19-22-20(25-13-7-2-8-14-25)18(23-24-19)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine?
3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine has a molecular weight of 334.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 45035403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).