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

C18H24FN5 — CID 112953404

IUPAC3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(NCCc2ccccc2F)n1
InChIInChI=1S/C18H24FN5/c1-2-15-8-5-6-12-24(15)18-22-17(13-21-23-18)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)
InChIKeyMPJRPEGJXUHGFM-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.43
Rot. Bonds6

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

3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine (PubChem CID 112953404) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
PubChem CID112953404
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(NCCc2ccccc2F)n1
InChIInChI=1S/C18H24FN5/c1-2-15-8-5-6-12-24(15)18-22-17(13-21-23-18)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)
InChIKeyMPJRPEGJXUHGFM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953534
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
2-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330744
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
(2-ethylpiperidin-1-yl)-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109158502
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941075

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine (CID 112953404) is 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine is CCC1CCCCN1c1nncc(NCCc2ccccc2F)n1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine?
The InChIKey is MPJRPEGJXUHGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-2-15-8-5-6-12-24(15)18-22-17(13-21-23-18)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 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine?
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-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 3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112953404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).