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

C16H20FN5 — CID 112960507

IUPAC3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN5/c1-2-14-5-3-4-10-22(14)16-20-15(11-18-21-16)19-13-8-6-12(17)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21)
InChIKeyZOTGFZYGVDOWNK-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.52
Rot. Bonds4

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

3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 112960507) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID112960507
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H20FN5/c1-2-14-5-3-4-10-22(14)16-20-15(11-18-21-16)19-13-8-6-12(17)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21)
InChIKeyZOTGFZYGVDOWNK-UHFFFAOYSA-N
XLogP3.52
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
N-(4-bromophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112900944
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
N-[[(2R)-1-[5-(4-propan-2-ylanilino)-1,2,4-triazin-3-yl]piperidin-2-yl]methyl]prop-2-enamide
CID 135362210
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine (CID 112960507) is 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine is CCC1CCCCN1c1nncc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is ZOTGFZYGVDOWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-2-14-5-3-4-10-22(14)16-20-15(11-18-21-16)19-13-8-6-12(17)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine?
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 301.37 g/mol, XLogP of 3.52, 4 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-(4-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).