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

C18H24FN5 — CID 112953534

IUPAC5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(NCCc2ccccc2F)n1
InChIInChI=1S/C18H24FN5/c1-2-15-8-5-6-12-24(15)17-13-21-23-18(22-17)20-11-10-14-7-3-4-9-16(14)19/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3,(H,20,22,23)
InChIKeyHKLZYTBATFKCKL-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.43
Rot. Bonds6

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

5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 112953534) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
PubChem CID112953534
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(NCCc2ccccc2F)n1
InChIInChI=1S/C18H24FN5/c1-2-15-8-5-6-12-24(15)17-13-21-23-18(22-17)20-11-10-14-7-3-4-9-16(14)19/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3,(H,20,22,23)
InChIKeyHKLZYTBATFKCKL-UHFFFAOYSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941075
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943549
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112943182
N-[2-(2-fluorophenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112953509
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine (CID 112953534) is 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(NCCc2ccccc2F)n1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is HKLZYTBATFKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-2-15-8-5-6-12-24(15)17-13-21-23-18(22-17)20-11-10-14-7-3-4-9-16(14)19/h3-4,7,9,13,15H,2,5-6,8,10-12H2,1H3,(H,20,22,23).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine?
5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 329.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).