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

C18H26N6 — CID 112946145

IUPACN-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(N(CC)Cc3ccccc3)n2)CC1
InChIInChI=1S/C18H26N6/c1-3-22-10-12-24(13-11-22)17-14-19-21-18(20-17)23(4-2)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3
InChIKeyGVGNEEVMLIRNMY-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.04
Rot. Bonds6

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

N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112946145) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112946145
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESCCN1CCN(c2cnnc(N(CC)Cc3ccccc3)n2)CC1
InChIInChI=1S/C18H26N6/c1-3-22-10-12-24(13-11-22)17-14-19-21-18(20-17)23(4-2)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3
InChIKeyGVGNEEVMLIRNMY-UHFFFAOYSA-N
XLogP2.04
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
N,N-dimethyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404645
3-(4-Fluorophenyl)-1,2,4-triazine
CID 12374485
1-Butyl-5-phenyl-3-(piperidin-1-yl)-1,2,4-triazin-1-ium
CID 6405341
(3-Phenyl-[1,2,4]triazin-6-yl)-(2-piperidin-1-yl-ethyl)-amine
CID 10731707
3-Phenyl-1,2,4-triazine
CID 6401371
N,N-Dimethyl-2-(5-phenyl-1,2,4-triazin-3-yl)-ethanamine
CID 46233384
3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
CID 46889616
3-(4-Methylphenyl)-1,2,4-triazine
CID 6625692
Fluorophenyl-asym-triazine
CID 129791406
1-Butyl-5-phenyl-3-piperidyl-1,2,4-triazine, iodide
CID 6410205
3-Dimethylamino-5-phenyl-1,2,4-triazine
CID 12592831

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112946145) is N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine is CCN1CCN(c2cnnc(N(CC)Cc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is GVGNEEVMLIRNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-22-10-12-24(13-11-22)17-14-19-21-18(20-17)23(4-2)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 326.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112946145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).