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

C22H25FN6 — CID 112951576

IUPACN-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCN(Cc1ccccc1)c1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H25FN6/c1-2-27(17-18-8-4-3-5-9-18)21-16-24-26-22(25-21)29-14-12-28(13-15-29)20-11-7-6-10-19(20)23/h3-11,16H,2,12-15,17H2,1H3
InChIKeyWOSGSKGTKPMLGS-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.36
Rot. Bonds6

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

N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112951576) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112951576
Molecular FormulaC22H25FN6
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC NameN-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCN(Cc1ccccc1)c1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C22H25FN6/c1-2-27(17-18-8-4-3-5-9-18)21-16-24-26-22(25-21)29-14-12-28(13-15-29)20-11-7-6-10-19(20)23/h3-11,16H,2,12-15,17H2,1H3
InChIKeyWOSGSKGTKPMLGS-UHFFFAOYSA-N
XLogP3.36
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957626
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
CID 112957635
4-[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946672
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 112954567
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112955669
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112949228
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
N-benzyl-3-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-5-amine
CID 112946090
N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
CID 112957592
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112951576) is N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is CCN(Cc1ccccc1)c1cnnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is WOSGSKGTKPMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-2-27(17-18-8-4-3-5-9-18)21-16-24-26-22(25-21)29-14-12-28(13-15-29)20-11-7-6-10-19(20)23/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 392.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112951576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).