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

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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).