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

C18H23FN6 — CID 112941659

IUPACN-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESFc1ccc(N2CCN(c3cnnc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C18H23FN6/c19-14-5-7-16(8-6-14)24-9-11-25(12-10-24)17-13-20-23-18(22-17)21-15-3-1-2-4-15/h5-8,13,15H,1-4,9-12H2,(H,21,22,23)
InChIKeySGPJCZIZYQSOQR-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.69
Rot. Bonds4

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

N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (PubChem CID 112941659) has the molecular formula C18H23FN6 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
PubChem CID112941659
Molecular FormulaC18H23FN6
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC NameN-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESFc1ccc(N2CCN(c3cnnc(NC4CCCC4)n3)CC2)cc1
InChIInChI=1S/C18H23FN6/c19-14-5-7-16(8-6-14)24-9-11-25(12-10-24)17-13-20-23-18(22-17)21-15-3-1-2-4-15/h5-8,13,15H,1-4,9-12H2,(H,21,22,23)
InChIKeySGPJCZIZYQSOQR-UHFFFAOYSA-N
XLogP2.69
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112942382
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112942384
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 112944563
N-(2,4-difluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112955660
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
N-(1,1-dioxothiolan-3-yl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954955
N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112943154
2-[[5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112955662
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948395

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The IUPAC name of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (CID 112941659) is N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is Fc1ccc(N2CCN(c3cnnc(NC4CCCC4)n3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The InChIKey is SGPJCZIZYQSOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6/c19-14-5-7-16(8-6-14)24-9-11-25(12-10-24)17-13-20-23-18(22-17)21-15-3-1-2-4-15/h5-8,13,15H,1-4,9-12H2,(H,21,22,23).
What are the key properties of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine has a molecular weight of 342.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).