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

C19H27FN6 — CID 112957635

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
SMILESCCCN(CCC)c1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H27FN6/c1-3-9-25(10-4-2)18-15-21-23-19(22-18)26-13-11-24(12-14-26)17-8-6-5-7-16(17)20/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyXOINGQXHOUUTKW-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.96
Rot. Bonds7

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

3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine (PubChem CID 112957635) has the molecular formula C19H27FN6 and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
PubChem CID112957635
Molecular FormulaC19H27FN6
Molecular Weight358.47 g/mol
Exact Mass358.23
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
SMILESCCCN(CCC)c1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C19H27FN6/c1-3-9-25(10-4-2)18-15-21-23-19(22-18)26-13-11-24(12-14-26)17-8-6-5-7-16(17)20/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyXOINGQXHOUUTKW-UHFFFAOYSA-N
XLogP2.96
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.96
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
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958111
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
CID 112954567
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957650
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112955669
N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112949572
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948577
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine (CID 112957635) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine is CCCN(CCC)c1cnnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine?
The InChIKey is XOINGQXHOUUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6/c1-3-9-25(10-4-2)18-15-21-23-19(22-18)26-13-11-24(12-14-26)17-8-6-5-7-16(17)20/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine?
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine has a molecular weight of 358.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).