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

C17H23FN6 — CID 112955669

IUPACN,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCN(CC)c1cnnc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H23FN6/c1-3-22(4-2)16-13-19-21-17(20-16)24-11-9-23(10-12-24)15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyXYIJKNWDMBBLLM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.18
Rot. Bonds5

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

N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112955669) has the molecular formula C17H23FN6 and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112955669
Molecular FormulaC17H23FN6
Molecular Weight330.41 g/mol
Exact Mass330.20
IUPAC NameN,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCCN(CC)c1cnnc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H23FN6/c1-3-22(4-2)16-13-19-21-17(20-16)24-11-9-23(10-12-24)15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyXYIJKNWDMBBLLM-UHFFFAOYSA-N
XLogP2.18
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.18
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
1-[4-[5-(diethylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947046
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957935
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
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
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958111
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112949228
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112955680
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
1-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955716

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112955669) is N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is CCN(CC)c1cnnc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is XYIJKNWDMBBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6/c1-3-22(4-2)16-13-19-21-17(20-16)24-11-9-23(10-12-24)15-7-5-14(18)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 330.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112955669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).