3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine

C20H20FN5 — CID 42198431

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine
SMILESCc1ccccc1-c1cnnc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H20FN5/c1-15-4-2-3-5-18(15)19-14-22-24-20(23-19)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3
InChIKeyVSWAYLMAGPKNMD-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.31
Rot. Bonds3

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

3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine (PubChem CID 42198431) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine
PubChem CID42198431
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine
SMILESCc1ccccc1-c1cnnc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H20FN5/c1-15-4-2-3-5-18(15)19-14-22-24-20(23-19)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3
InChIKeyVSWAYLMAGPKNMD-UHFFFAOYSA-N
XLogP3.31
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine (CID 42198431) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine is Cc1ccccc1-c1cnnc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine?
The InChIKey is VSWAYLMAGPKNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c1-15-4-2-3-5-18(15)19-14-22-24-20(23-19)26-12-10-25(11-13-26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine?
3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine has a molecular weight of 349.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2-methylphenyl)-1,2,4-triazine is sourced from PubChem (CID 42198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).