3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine

C20H27FN6 — CID 112957573

IUPAC3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
SMILESCCC1CCCCN1c1nncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H27FN6/c1-2-16-7-5-6-10-27(16)20-23-19(15-22-24-20)26-13-11-25(12-14-26)18-9-4-3-8-17(18)21/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3
InChIKeyUKVGIUKLAKQBRU-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.11
Rot. Bonds4

About 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine

3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine (PubChem CID 112957573) has the molecular formula C20H27FN6 and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
PubChem CID112957573
Molecular FormulaC20H27FN6
Molecular Weight370.48 g/mol
Exact Mass370.23
IUPAC Name3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
SMILESCCC1CCCCN1c1nncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H27FN6/c1-2-16-7-5-6-10-27(16)20-23-19(15-22-24-20)26-13-11-25(12-14-26)18-9-4-3-8-17(18)21/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3
InChIKeyUKVGIUKLAKQBRU-UHFFFAOYSA-N
XLogP3.11
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
[2-(2-ethylpiperidin-1-yl)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109262091
5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112958109
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
CID 112955380
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
5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953534
(2-ethylpiperidin-1-yl)-[5-[4-(2-fluorophenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286501
N-ethyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-3-amine
CID 112957592
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112940908
3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
CID 112957635

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine (CID 112957573) is 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine is CCC1CCCCN1c1nncc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine?
The InChIKey is UKVGIUKLAKQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6/c1-2-16-7-5-6-10-27(16)20-23-19(15-22-24-20)26-13-11-25(12-14-26)18-9-4-3-8-17(18)21/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine?
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine has a molecular weight of 370.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 112957573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).