3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine

C20H29N5 — CID 112959555

IUPAC3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H29N5/c1-16(2)8-11-21-19-15-22-24-20(23-19)25-12-9-18(10-13-25)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,23,24)
InChIKeyOVEJEYGEVMSZIG-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.79
Rot. Bonds7

About 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine

3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine (PubChem CID 112959555) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
PubChem CID112959555
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
SMILESCC(C)CCNc1cnnc(N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H29N5/c1-16(2)8-11-21-19-15-22-24-20(23-19)25-12-9-18(10-13-25)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,23,24)
InChIKeyOVEJEYGEVMSZIG-UHFFFAOYSA-N
XLogP3.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274
furan-2-yl-[4-[5-(3-methylbutylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]methanone
CID 112957796
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112960353
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
2-(4-benzylpiperidin-1-yl)-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112907146
3-(4-methylpiperidin-1-yl)-N-propyl-1,2,4-triazin-5-amine
CID 112938300

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine (CID 112959555) is 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine is CC(C)CCNc1cnnc(N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
The InChIKey is OVEJEYGEVMSZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16(2)8-11-21-19-15-22-24-20(23-19)25-12-9-18(10-13-25)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,23,24).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine?
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine has a molecular weight of 339.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112959555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).