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

C23H27N5 — CID 112960327

IUPAC3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
SMILESCCc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H27N5/c1-2-18-8-10-21(11-9-18)25-22-17-24-27-23(26-22)28-14-12-20(13-15-28)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16H2,1H3,(H,25,26,27)
InChIKeyQHDCDAAIMRVNRM-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.64
Rot. Bonds6

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

3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine (PubChem CID 112960327) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
PubChem CID112960327
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
SMILESCCc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H27N5/c1-2-18-8-10-21(11-9-18)25-22-17-24-27-23(26-22)28-14-12-20(13-15-28)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16H2,1H3,(H,25,26,27)
InChIKeyQHDCDAAIMRVNRM-UHFFFAOYSA-N
XLogP4.64
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112960353
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955539
N-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942863
4-[[2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112925851
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544274
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
3-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112955393
6-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482837

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine (CID 112960327) is 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine is CCc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is QHDCDAAIMRVNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-2-18-8-10-21(11-9-18)25-22-17-24-27-23(26-22)28-14-12-20(13-15-28)16-19-6-4-3-5-7-19/h3-11,17,20H,2,12-16H2,1H3,(H,25,26,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine?
3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 373.50 g/mol, XLogP of 4.64, 6 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-(4-ethylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).