5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine

C17H24N6 — CID 112946149

IUPAC5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C17H24N6/c1-2-22-10-12-23(13-11-22)16-14-19-21-17(20-16)18-9-8-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,20,21)
InChIKeyLGZALADZBODKSA-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.67
Rot. Bonds6

About 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine

5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine (PubChem CID 112946149) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
PubChem CID112946149
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C17H24N6/c1-2-22-10-12-23(13-11-22)16-14-19-21-17(20-16)18-9-8-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,20,21)
InChIKeyLGZALADZBODKSA-UHFFFAOYSA-N
XLogP1.67
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-(2-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952966
5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943516
N-[2-(3-methoxyphenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954228
4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946504
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112946268
N-[2-(3-methoxyphenyl)ethyl]-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112954235
N-[2-(2-fluorophenyl)ethyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112953509
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine (CID 112946149) is 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(NCCc3ccccc3)n2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine?
The InChIKey is LGZALADZBODKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-22-10-12-23(13-11-22)16-14-19-21-17(20-16)18-9-8-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,20,21).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine?
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine has a molecular weight of 312.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112946149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).