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

C16H20FN5 — CID 112960506

IUPAC3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(Nc2ccccc2F)n1
InChIInChI=1S/C16H20FN5/c1-2-12-7-5-6-10-22(12)16-20-15(11-18-21-16)19-14-9-4-3-8-13(14)17/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20,21)
InChIKeyJLVLATSZYLCBLE-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.52
Rot. Bonds4

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

3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 112960506) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
PubChem CID112960506
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(Nc2ccccc2F)n1
InChIInChI=1S/C16H20FN5/c1-2-12-7-5-6-10-22(12)16-20-15(11-18-21-16)19-14-9-4-3-8-13(14)17/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20,21)
InChIKeyJLVLATSZYLCBLE-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-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
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)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
2-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109264249
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112962871
N-(2-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298452
5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953534

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine (CID 112960506) is 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine is CCC1CCCCN1c1nncc(Nc2ccccc2F)n1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is JLVLATSZYLCBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-2-12-7-5-6-10-22(12)16-20-15(11-18-21-16)19-14-9-4-3-8-13(14)17/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20,21).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine?
3-(2-ethylpiperidin-1-yl)-N-(2-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-(2-fluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).