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

C21H23FN6 — CID 112957650

IUPACN-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCc1ccccc1Nc1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H23FN6/c1-2-16-7-3-5-9-18(16)24-20-15-23-26-21(25-20)28-13-11-27(12-14-28)19-10-6-4-8-17(19)22/h3-10,15H,2,11-14H2,1H3,(H,24,25,26)
InChIKeyKUJRKYVIXRYAJN-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.64
Rot. Bonds5

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

N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112957650) has the molecular formula C21H23FN6 and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112957650
Molecular FormulaC21H23FN6
Molecular Weight378.46 g/mol
Exact Mass378.20
IUPAC NameN-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCc1ccccc1Nc1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H23FN6/c1-2-16-7-3-5-9-18(16)24-20-15-23-26-21(25-20)28-13-11-27(12-14-28)19-10-6-4-8-17(19)22/h3-10,15H,2,11-14H2,1H3,(H,24,25,26)
InChIKeyKUJRKYVIXRYAJN-UHFFFAOYSA-N
XLogP3.64
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112923703
N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112949572
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948577
N-(2-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298452
N,N-diethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957626
N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
CID 112957635
methyl 2-[[3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112946431
N-(2,6-diethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958134
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112945960

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112957650) is N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is CCc1ccccc1Nc1cnnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is KUJRKYVIXRYAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6/c1-2-16-7-3-5-9-18(16)24-20-15-23-26-21(25-20)28-13-11-27(12-14-28)19-10-6-4-8-17(19)22/h3-10,15H,2,11-14H2,1H3,(H,24,25,26).
What are the key properties of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 378.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).