6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine

C20H19ClFN5 — CID 52940447

IUPAC6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2nc(-c3ccccc3F)nnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClFN5/c1-26-10-12-27(13-11-26)20-18(14-6-8-15(21)9-7-14)24-25-19(23-20)16-4-2-3-5-17(16)22/h2-9H,10-13H2,1H3
InChIKeyWPXRAMIVCZKXCY-UHFFFAOYSA-N
MW383.86 g/mol
LogP3.75
Rot. Bonds3

About 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine

6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 52940447) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID52940447
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC Name6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCN1CCN(c2nc(-c3ccccc3F)nnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClFN5/c1-26-10-12-27(13-11-26)20-18(14-6-8-15(21)9-7-14)24-25-19(23-20)16-4-2-3-5-17(16)22/h2-9H,10-13H2,1H3
InChIKeyWPXRAMIVCZKXCY-UHFFFAOYSA-N
XLogP3.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 52940447) is 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine is CN1CCN(c2nc(-c3ccccc3F)nnc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is WPXRAMIVCZKXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5/c1-26-10-12-27(13-11-26)20-18(14-6-8-15(21)9-7-14)24-25-19(23-20)16-4-2-3-5-17(16)22/h2-9H,10-13H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine?
6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 383.86 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(2-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 52940447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).