N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine

C21H23FN6 — CID 112957592

IUPACN-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
SMILESCCN(c1ccccc1)c1nncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H23FN6/c1-2-28(17-8-4-3-5-9-17)21-24-20(16-23-25-21)27-14-12-26(13-15-27)19-11-7-6-10-18(19)22/h3-11,16H,2,12-15H2,1H3
InChIKeyGAAPYTZXYIHUGZ-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.50
Rot. Bonds5

About N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine

N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine (PubChem CID 112957592) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
PubChem CID112957592
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC NameN-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
SMILESCCN(c1ccccc1)c1nncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H23FN6/c1-2-28(17-8-4-3-5-9-17)21-24-20(16-23-25-21)27-14-12-26(13-15-27)19-11-7-6-10-18(19)22/h3-11,16H,2,12-15H2,1H3
InChIKeyGAAPYTZXYIHUGZ-UHFFFAOYSA-N
XLogP3.50
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine (CID 112957592) is N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine is CCN(c1ccccc1)c1nncc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine?
The InChIKey is GAAPYTZXYIHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/c1-2-28(17-8-4-3-5-9-17)21-24-20(16-23-25-21)27-14-12-26(13-15-27)19-11-7-6-10-18(19)22/h3-11,16H,2,12-15H2,1H3.
What are the key properties of N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine?
N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine has a molecular weight of 378.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112957592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).