5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine

C17H24N6O — CID 112943516

IUPAC5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
SMILESCOCCNc1nncc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-24-12-7-18-17-20-16(13-19-21-17)23-10-8-22(9-11-23)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,18,20,21)
InChIKeyJPZSLHPBPWBTEW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.25
Rot. Bonds7

About 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine

5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine (PubChem CID 112943516) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
PubChem CID112943516
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
SMILESCOCCNc1nncc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-24-12-7-18-17-20-16(13-19-21-17)23-10-8-22(9-11-23)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,18,20,21)
InChIKeyJPZSLHPBPWBTEW-UHFFFAOYSA-N
XLogP1.25
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943886
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112946149
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
1-N-[5-(4-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112955359
5-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-1,2,4-triazin-3-amine
CID 112955328
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
5-(4-benzylpiperazin-1-yl)-N-(4-chloro-2-methylphenyl)-1,2,4-triazin-3-amine
CID 112955348
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine (CID 112943516) is 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine is COCCNc1nncc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
The InChIKey is JPZSLHPBPWBTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-24-12-7-18-17-20-16(13-19-21-17)23-10-8-22(9-11-23)14-15-5-3-2-4-6-15/h2-6,13H,7-12,14H2,1H3,(H,18,20,21).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112943516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).