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

C21H30N6 — CID 112955380

IUPAC3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
SMILESCCC1CCCCN1c1cnnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H30N6/c1-2-19-10-6-7-11-27(19)20-16-22-24-21(23-20)26-14-12-25(13-15-26)17-18-8-4-3-5-9-18/h3-5,8-9,16,19H,2,6-7,10-15,17H2,1H3
InChIKeyOUTWVPNZPPLGBP-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.96
Rot. Bonds5

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

3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 112955380) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
PubChem CID112955380
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC Name3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
SMILESCCC1CCCCN1c1cnnc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H30N6/c1-2-19-10-6-7-11-27(19)20-16-22-24-21(23-20)26-14-12-25(13-15-26)17-18-8-4-3-5-9-18/h3-5,8-9,16,19H,2,6-7,10-15,17H2,1H3
InChIKeyOUTWVPNZPPLGBP-UHFFFAOYSA-N
XLogP2.96
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112958109
3-(4-benzylpiperazin-1-yl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945803
5-(4-benzylpiperazin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945981
3-(2-ethylpiperidin-1-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazine
CID 112957573
3-(4-benzylpiperazin-1-yl)-N-cyclohexyl-1,2,4-triazin-5-amine
CID 112942226
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112947575
(4-benzylpiperazin-1-yl)-[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309443
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine (CID 112955380) is 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine is CCC1CCCCN1c1cnnc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is OUTWVPNZPPLGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-2-19-10-6-7-11-27(19)20-16-22-24-21(23-20)26-14-12-25(13-15-26)17-18-8-4-3-5-9-18/h3-5,8-9,16,19H,2,6-7,10-15,17H2,1H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine?
3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 366.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 112955380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).