5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine

C18H26N8 — CID 112958109

IUPAC5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
SMILESCCC1CCCCN1c1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H26N8/c1-2-15-6-3-4-9-26(15)16-14-21-23-18(22-16)25-12-10-24(11-13-25)17-19-7-5-8-20-17/h5,7-8,14-15H,2-4,6,9-13H2,1H3
InChIKeyAQDZSUSGKGETDJ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.76
Rot. Bonds4

About 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine

5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 112958109) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
PubChem CID112958109
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC Name5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
SMILESCCC1CCCCN1c1cnnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H26N8/c1-2-15-6-3-4-9-26(15)16-14-21-23-18(22-16)25-12-10-24(11-13-25)17-19-7-5-8-20-17/h5,7-8,14-15H,2-4,6,9-13H2,1H3
InChIKeyAQDZSUSGKGETDJ-UHFFFAOYSA-N
XLogP1.76
TPSA74.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
CID 112955380
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112914013
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943549
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
N,N-dipropyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958111
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine (CID 112958109) is 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine is CCC1CCCCN1c1cnnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is AQDZSUSGKGETDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-2-15-6-3-4-9-26(15)16-14-21-23-18(22-16)25-12-10-24(11-13-25)17-19-7-5-8-20-17/h5,7-8,14-15H,2-4,6,9-13H2,1H3.
What are the key properties of 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine?
5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 354.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112958109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).