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

C16H22N6O — CID 112946238

IUPAC5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3cccc(OC)c3)n2)CC1
InChIInChI=1S/C16H22N6O/c1-3-21-7-9-22(10-8-21)15-12-17-20-16(19-15)18-13-5-4-6-14(11-13)23-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,19,20)
InChIKeyOKCNPRYDCKRMSS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.77
Rot. Bonds5

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

5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112946238) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112946238
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3cccc(OC)c3)n2)CC1
InChIInChI=1S/C16H22N6O/c1-3-21-7-9-22(10-8-21)15-12-17-20-16(19-15)18-13-5-4-6-14(11-13)23-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,19,20)
InChIKeyOKCNPRYDCKRMSS-UHFFFAOYSA-N
XLogP1.77
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957363
3-[[5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112946298
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112946268
5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
CID 112946282
6-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 112881049
3-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112957368
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
N-(3,4-dimethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958078
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-[2-(3-methoxyphenyl)ethyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941842

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine (CID 112946238) is 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(Nc3cccc(OC)c3)n2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is OKCNPRYDCKRMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-21-7-9-22(10-8-21)15-12-17-20-16(19-15)18-13-5-4-6-14(11-13)23-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,19,20).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 314.39 g/mol, XLogP of 1.77, 5 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-(3-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112946238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).