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

C18H26N6O3 — CID 112946282

IUPAC5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3cc(OC)c(OC)c(OC)c3)n2)CC1
InChIInChI=1S/C18H26N6O3/c1-5-23-6-8-24(9-7-23)16-12-19-22-18(21-16)20-13-10-14(25-2)17(27-4)15(11-13)26-3/h10-12H,5-9H2,1-4H3,(H,20,21,22)
InChIKeyQYLZVDLAQYYMJC-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.78
Rot. Bonds7

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

5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 112946282) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID112946282
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(Nc3cc(OC)c(OC)c(OC)c3)n2)CC1
InChIInChI=1S/C18H26N6O3/c1-5-23-6-8-24(9-7-23)16-12-19-22-18(21-16)20-13-10-14(25-2)17(27-4)15(11-13)26-3/h10-12H,5-9H2,1-4H3,(H,20,21,22)
InChIKeyQYLZVDLAQYYMJC-UHFFFAOYSA-N
XLogP1.78
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-1,2,4-triazin-3-amine
CID 112946238
5-(4-ethylpiperazin-1-yl)-N-(4-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112946268
N-(3,4-dimethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958078
3-[[5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112946298
N-(3-methoxyphenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957363
5-N-butyl-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940044
4-[3-(3-chloro-4-methoxyanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946585
ethyl 4-[3-(3-chloro-4-methoxyanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957047
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112942382
N-(3-chloro-4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112957900
5-N-benzyl-5-N-ethyl-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112951674
5-N-(4-ethoxyphenyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967597

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine (CID 112946282) is 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(Nc3cc(OC)c(OC)c(OC)c3)n2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is QYLZVDLAQYYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-5-23-6-8-24(9-7-23)16-12-19-22-18(21-16)20-13-10-14(25-2)17(27-4)15(11-13)26-3/h10-12H,5-9H2,1-4H3,(H,20,21,22).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine?
5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 374.45 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112946282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).