N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine

C17H23N5 — CID 112947575

IUPACN-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(NCc2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-2-15-10-6-7-11-22(15)17-20-16(13-19-21-17)18-12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,18,20,21)
InChIKeyQHHBHCKPYCRSBM-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.25
Rot. Bonds5

About N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine

N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112947575) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112947575
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
SMILESCCC1CCCCN1c1nncc(NCc2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-2-15-10-6-7-11-22(15)17-20-16(13-19-21-17)18-12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,18,20,21)
InChIKeyQHHBHCKPYCRSBM-UHFFFAOYSA-N
XLogP3.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-5-amine
CID 112952514
3-(2-ethylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112951064
3-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 112953404
3-(2-ethylpiperidin-1-yl)-N-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960506
N-butan-2-yl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112940731
2-(2-ethylpiperidin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112937236
3-(2-ethylpiperidin-1-yl)-N-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 112960507
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
N-(3-bromo-4-methylphenyl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112960520
3-(4-benzylpiperazin-1-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazine
CID 112955380

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine (CID 112947575) is N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine is CCC1CCCCN1c1nncc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is QHHBHCKPYCRSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-15-10-6-7-11-22(15)17-20-16(13-19-21-17)18-12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,18,20,21).
What are the key properties of N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine?
N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 297.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-ethylpiperidin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112947575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).