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

C21H24N6O — CID 112946268

IUPAC5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3ccc(Oc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C21H24N6O/c1-2-26-12-14-27(15-13-26)20-16-22-25-21(24-20)23-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25)
InChIKeyDFXWCHMPIZBLNF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.55
Rot. Bonds6

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

5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112946268) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112946268
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3ccc(Oc4ccccc4)cc3)n2)CC1
InChIInChI=1S/C21H24N6O/c1-2-26-12-14-27(15-13-26)20-16-22-25-21(24-20)23-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25)
InChIKeyDFXWCHMPIZBLNF-UHFFFAOYSA-N
XLogP3.55
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
CID 112946238
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
1-N-[5-(4-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 112955359
N-(4-ethoxyphenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957610
5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 112946282
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
3-[[5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112946298
5-(4-methylpiperidin-1-yl)-N-(4-phenylmethoxyphenyl)-1,2,4-triazin-3-amine
CID 112942710
5-(4-ethylpiperazin-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112946149
N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955475
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
5-N-butan-2-yl-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940808

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine (CID 112946268) is 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(Nc3ccc(Oc4ccccc4)cc3)n2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is DFXWCHMPIZBLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-26-12-14-27(15-13-26)20-16-22-25-21(24-20)23-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H,23,24,25).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine?
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 376.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112946268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).